4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen

C17H21F2N5O3 — CID 162119382

IUPAC4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1ccc(OC(F)F)cc1.[H][H]
InChIInChI=1S/C17H19F2N5O3.H2/c18-17(19)27-12-3-1-10(2-4-12)15(25)23-13-9-21-24-14(13)16(26)22-11-5-7-20-8-6-11;/h1-4,9,11,17,20H,5-8H2,(H,21,24)(H,22,26)(H,23,25);1H
InChIKeyZHEZMKNHUGHUGC-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.99
Rot. Bonds6

About 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen

4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen (PubChem CID 162119382) has the molecular formula C17H21F2N5O3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen
PubChem CID162119382
Molecular FormulaC17H21F2N5O3
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC Name4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1ccc(OC(F)F)cc1.[H][H]
InChIInChI=1S/C17H19F2N5O3.H2/c18-17(19)27-12-3-1-10(2-4-12)15(25)23-13-9-21-24-14(13)16(26)22-11-5-7-20-8-6-11;/h1-4,9,11,17,20H,5-8H2,(H,21,24)(H,22,26)(H,23,25);1H
InChIKeyZHEZMKNHUGHUGC-UHFFFAOYSA-N
XLogP1.99
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 158915340
2-[4-(difluoromethoxy)phenyl]-N-piperidin-4-ylacetamide
CID 119387703
3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide
CID 143263434
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;2,2-dimethylpropanoyloxymethoxyphosphinous acid
CID 155713999
N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 69378336
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen?
The IUPAC name of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen (CID 162119382) is 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen is O=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1ccc(OC(F)F)cc1.[H][H].
What is the InChIKey of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen?
The InChIKey is ZHEZMKNHUGHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3.H2/c18-17(19)27-12-3-1-10(2-4-12)15(25)23-13-9-21-24-14(13)16(26)22-11-5-7-20-8-6-11;/h1-4,9,11,17,20H,5-8H2,(H,21,24)(H,22,26)(H,23,25);1H.
What are the key properties of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen?
4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen has a molecular weight of 381.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 162119382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).