3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide

C20H25N5O2S — CID 169418852

IUPAC3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c26-19(23-15-8-10-28-12-15)13-4-6-14(7-5-13)22-20(27)18-11-17(24-25-18)16-3-1-2-9-21-16/h1-3,9,11,13-15H,4-8,10,12H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeySBWMRMMAGBWVGR-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.38
Rot. Bonds5

About 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide

3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 169418852) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID169418852
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c26-19(23-15-8-10-28-12-15)13-4-6-14(7-5-13)22-20(27)18-11-17(24-25-18)16-3-1-2-9-21-16/h1-3,9,11,13-15H,4-8,10,12H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeySBWMRMMAGBWVGR-UHFFFAOYSA-N
XLogP2.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74246648
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 169418282
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(thiolan-3-yl)cyclohexane-1-carboxamide
CID 169417135
4-(3-phenylprop-2-enoylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide
CID 171339404
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
N-(thiolan-3-yl)-1H-indazole-3-carboxamide
CID 103708716
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide
CID 170506156
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 169418852) is 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide is O=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SBWMRMMAGBWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c26-19(23-15-8-10-28-12-15)13-4-6-14(7-5-13)22-20(27)18-11-17(24-25-18)16-3-1-2-9-21-16/h1-3,9,11,13-15H,4-8,10,12H2,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide?
3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 169418852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).