N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

C24H34N6O3S — CID 160631335

IUPACN-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC2)cc(N(C2CC2)C2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c1
InChIInChI=1S/C24H34N6O3S/c1-18-15-21(27-10-3-4-11-27)17-22(16-18)30(19-5-6-19)20-7-12-28(13-8-20)24(31)29-14-9-23(25-29)26-34(2,32)33/h9,14-17,19-20H,3-8,10-13H2,1-2H3,(H,25,26)
InChIKeyRHYQFHIFQYNFHU-UHFFFAOYSA-N
MW486.64 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide

N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 160631335) has the molecular formula C24H34N6O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
PubChem CID160631335
Molecular FormulaC24H34N6O3S
Molecular Weight486.64 g/mol
Exact Mass486.24
IUPAC NameN-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC2)cc(N(C2CC2)C2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c1
InChIInChI=1S/C24H34N6O3S/c1-18-15-21(27-10-3-4-11-27)17-22(16-18)30(19-5-6-19)20-7-12-28(13-8-20)24(31)29-14-9-23(25-29)26-34(2,32)33/h9,14-17,19-20H,3-8,10-13H2,1-2H3,(H,25,26)
InChIKeyRHYQFHIFQYNFHU-UHFFFAOYSA-N
XLogP3.26
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[[8-[3-(methanesulfonamido)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]-5-methylphenyl]piperidine-4-carboxylic acid
CID 147678003
N-[1-[1-[[4-methyl-2-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 145315689
N-[1-[4-[(4-chloro-3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 158059799
N-[1-[3-methyl-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483088
N-[1-[4-[[3-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413346
N-[1-[(3S,4S)-3-fluoro-4-[3-(4-fluoropiperidin-1-yl)-4-methylphenoxy]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 148534211
N-[1-[1-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413315
2-[2-[1-[3-(methanesulfonamido)pyrazole-1-carbonyl]piperidin-4-yl]oxy-5-(trifluoromethyl)anilino]acetic acid
CID 142482934
N-[1-[4-[[3-[(3R)-3-fluoropyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483158
N-[1-[4-[4-methyl-3-(1,2,4-oxadiazol-2-ium-2-yl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 159090891
N-[1-[4-[[4-chloro-3-(4-cyanopiperidin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 142483120
[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 158039566

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide (CID 160631335) is N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is Cc1cc(N2CCCC2)cc(N(C2CC2)C2CCN(C(=O)n3ccc(NS(C)(=O)=O)n3)CC2)c1.
What is the InChIKey of N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is RHYQFHIFQYNFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3S/c1-18-15-21(27-10-3-4-11-27)17-22(16-18)30(19-5-6-19)20-7-12-28(13-8-20)24(31)29-14-9-23(25-29)26-34(2,32)33/h9,14-17,19-20H,3-8,10-13H2,1-2H3,(H,25,26).
What are the key properties of N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide?
N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 486.64 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(N-cyclopropyl-3-methyl-5-pyrrolidin-1-ylanilino)piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 160631335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).