N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen

C22H31FN4O3 — CID 162148706

IUPACN-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C22H29FN4O3.H2/c1-22(2,3)13-8-10-14(11-9-13)25-21(29)19-16(12-24-27-19)26-20(28)18-15(23)6-5-7-17(18)30-4;/h5-7,12-14H,8-11H2,1-4H3,(H,24,27)(H,25,29)(H,26,28);1H
InChIKeyZKXHBPNZPRBRRN-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.39
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen

N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen (PubChem CID 162148706) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
PubChem CID162148706
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC NameN-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1.[H][H]
InChIInChI=1S/C22H29FN4O3.H2/c1-22(2,3)13-8-10-14(11-9-13)25-21(29)19-16(12-24-27-19)26-20(28)18-15(23)6-5-7-17(18)30-4;/h5-7,12-14H,8-11H2,1-4H3,(H,24,27)(H,25,29)(H,26,28);1H
InChIKeyZKXHBPNZPRBRRN-UHFFFAOYSA-N
XLogP4.39
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 158915340
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
N-(4-tert-butylcyclohexyl)-5-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-4-carboxamide
CID 70809851
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862773
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155518463
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen (CID 162148706) is N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen is COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1.[H][H].
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The InChIKey is ZKXHBPNZPRBRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3.H2/c1-22(2,3)13-8-10-14(11-9-13)25-21(29)19-16(12-24-27-19)26-20(28)18-15(23)6-5-7-17(18)30-4;/h5-7,12-14H,8-11H2,1-4H3,(H,24,27)(H,25,29)(H,26,28);1H.
What are the key properties of N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen has a molecular weight of 418.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 162148706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).