4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide

C19H25FN4O4 — CID 118297463

IUPAC4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCC[C@@H](CCCO)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C19H25FN4O4/c1-3-6-12(7-5-10-25)22-19(27)17-14(11-21-24-17)23-18(26)16-13(20)8-4-9-15(16)28-2/h4,8-9,11-12,25H,3,5-7,10H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)/t12-/m0/s1
InChIKeyAUJZIIAWCKIOIZ-LBPRGKRZSA-N
MW392.43 g/mol
LogP2.48
Rot. Bonds10

About 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 118297463) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID118297463
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCC[C@@H](CCCO)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C19H25FN4O4/c1-3-6-12(7-5-10-25)22-19(27)17-14(11-21-24-17)23-18(26)16-13(20)8-4-9-15(16)28-2/h4,8-9,11-12,25H,3,5-7,10H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)/t12-/m0/s1
InChIKeyAUJZIIAWCKIOIZ-LBPRGKRZSA-N
XLogP2.48
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
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
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
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-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide (CID 118297463) is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide is CCC[C@@H](CCCO)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1OC.
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is AUJZIIAWCKIOIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-3-6-12(7-5-10-25)22-19(27)17-14(11-21-24-17)23-18(26)16-13(20)8-4-9-15(16)28-2/h4,8-9,11-12,25H,3,5-7,10H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)/t12-/m0/s1.
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118297463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).