(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide

C16H24N6O3S — CID 51388637

IUPAC(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccn(C)n3)C2)cnn1C
InChIInChI=1S/C16H24N6O3S/c1-12-15(10-18-21(12)3)26(24,25)22-7-4-5-13(11-22)16(23)17-9-14-6-8-20(2)19-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,23)/t13-/m1/s1
InChIKeyRLZAWVDGXDEEEC-CYBMUJFWSA-N
MW380.47 g/mol
LogP0.18
Rot. Bonds5

About (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 51388637) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID51388637
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccn(C)n3)C2)cnn1C
InChIInChI=1S/C16H24N6O3S/c1-12-15(10-18-21(12)3)26(24,25)22-7-4-5-13(11-22)16(23)17-9-14-6-8-20(2)19-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,23)/t13-/m1/s1
InChIKeyRLZAWVDGXDEEEC-CYBMUJFWSA-N
XLogP0.18
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4776890
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 124768210
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 17025141
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 40653181
[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 19585634
3-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202781
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51618591
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 17025161
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 51388637) is (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide is Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccn(C)n3)C2)cnn1C.
What is the InChIKey of (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RLZAWVDGXDEEEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-12-15(10-18-21(12)3)26(24,25)22-7-4-5-13(11-22)16(23)17-9-14-6-8-20(2)19-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,23)/t13-/m1/s1.
What are the key properties of (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).