N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen

C18H23F2N5O2 — CID 162236390

IUPACN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESNCC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1.[H][H]
InChIInChI=1S/C18H21F2N5O2.H2/c19-12-2-1-3-13(20)15(12)17(26)24-14-9-22-25-16(14)18(27)23-11-6-4-10(8-21)5-7-11;/h1-3,9-11H,4-8,21H2,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyZWCRADDURXIKSY-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.43
Rot. Bonds5

About N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen

N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen (PubChem CID 162236390) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
PubChem CID162236390
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESNCC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1.[H][H]
InChIInChI=1S/C18H21F2N5O2.H2/c19-12-2-1-3-13(20)15(12)17(26)24-14-9-22-25-16(14)18(27)23-11-6-4-10(8-21)5-7-11;/h1-3,9-11H,4-8,21H2,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyZWCRADDURXIKSY-UHFFFAOYSA-N
XLogP2.43
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)-methylamino]-1H-pyrazole-5-carboxamide
CID 66978502
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
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
N-[1-(6-chloro-2-pyridinyl)piperidin-4-yl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733311
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen (CID 162236390) is N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen is NCC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1.[H][H].
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The InChIKey is ZWCRADDURXIKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2.H2/c19-12-2-1-3-13(20)15(12)17(26)24-14-9-22-25-16(14)18(27)23-11-6-4-10(8-21)5-7-11;/h1-3,9-11H,4-8,21H2,(H,22,25)(H,23,27)(H,24,26);1H.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen?
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen has a molecular weight of 379.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 162236390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).