N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide

C20H31F2N5O2 — CID 143263765

IUPACN-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2[nH]ncc2NC(=O)C2C(F)CCCC2F)CC1
InChIInChI=1S/C20H31F2N5O2/c1-20(2,3)27-9-7-12(8-10-27)24-19(29)17-15(11-23-26-17)25-18(28)16-13(21)5-4-6-14(16)22/h11-14,16H,4-10H2,1-3H3,(H,23,26)(H,24,29)(H,25,28)
InChIKeyPYXYFLUNLYVYLH-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.82
Rot. Bonds4

About N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide

N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 143263765) has the molecular formula C20H31F2N5O2 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID143263765
Molecular FormulaC20H31F2N5O2
Molecular Weight411.50 g/mol
Exact Mass411.24
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2[nH]ncc2NC(=O)C2C(F)CCCC2F)CC1
InChIInChI=1S/C20H31F2N5O2/c1-20(2,3)27-9-7-12(8-10-27)24-19(29)17-15(11-23-26-17)25-18(28)16-13(21)5-4-6-14(16)22/h11-14,16H,4-10H2,1-3H3,(H,23,26)(H,24,29)(H,25,28)
InChIKeyPYXYFLUNLYVYLH-UHFFFAOYSA-N
XLogP2.82
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714250
4-Cyclohexaneamido-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19410657
4-[(4-fluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-[1-(4-methylpentan-2-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70308871
N-cyclohexyl-4-[[(2E)-2-[(E)-2-fluoroprop-1-enyl]-4-(4-methylpiperazin-1-yl)penta-2,4-dienoyl]amino]-1H-pyrazole-5-carboxamide
CID 88997186
4-[[(2R)-2,6-difluoro-2-methylcyclohexanecarbonyl]amino]-N-[4-[(oxan-4-ylamino)methyl]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 142995075
4-(cyclohexylamino)-N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142995110
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-[[(6R)-2,6-difluorocyclohexanecarbonyl]amino]-1H-pyrazole-5-carboxamide
CID 143263562
tert-butyl 4-[[4-[(4-fluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 143263689
4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 143263713
[4-[(2,6-difluoro-5-methylcyclohexa-1,3-diene-1-carbonyl)amino]-1H-pyrazole-5-carbonyl]-(4-thiomorpholin-4-ylcyclohexyl)azanium
CID 163872539
(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 55178793
(4-amino-1H-pyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533199

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide (CID 143263765) is N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide is CC(C)(C)N1CCC(NC(=O)c2[nH]ncc2NC(=O)C2C(F)CCCC2F)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is PYXYFLUNLYVYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2N5O2/c1-20(2,3)27-9-7-12(8-10-27)24-19(29)17-15(11-23-26-17)25-18(28)16-13(21)5-4-6-14(16)22/h11-14,16H,4-10H2,1-3H3,(H,23,26)(H,24,29)(H,25,28).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-4-[(2,6-difluorocyclohexanecarbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).