N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide

C19H25N5O4S — CID 56507150

IUPACN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)C1
InChIInChI=1S/C19H25N5O4S/c1-2-12-29(27,28)23-10-3-4-14(13-23)19(26)21-15-5-7-16(8-6-15)24-11-9-17(22-24)18(20)25/h5-9,11,14H,2-4,10,12-13H2,1H3,(H2,20,25)(H,21,26)
InChIKeyASLUXQUVOVWTQS-UHFFFAOYSA-N
MW419.51 g/mol
LogP1.36
Rot. Bonds7

About N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 56507150) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID56507150
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)C1
InChIInChI=1S/C19H25N5O4S/c1-2-12-29(27,28)23-10-3-4-14(13-23)19(26)21-15-5-7-16(8-6-15)24-11-9-17(22-24)18(20)25/h5-9,11,14H,2-4,10,12-13H2,1H3,(H2,20,25)(H,21,26)
InChIKeyASLUXQUVOVWTQS-UHFFFAOYSA-N
XLogP1.36
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 166224809
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 86958161

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 56507150) is N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)C1.
What is the InChIKey of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is ASLUXQUVOVWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-2-12-29(27,28)23-10-3-4-14(13-23)19(26)21-15-5-7-16(8-6-15)24-11-9-17(22-24)18(20)25/h5-9,11,14H,2-4,10,12-13H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 56507150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).