N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide

C23H25FN4O2 — CID 166519054

IUPACN-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2cc(N)c(C3CCCC3)n2)cc1
InChIInChI=1S/C23H25FN4O2/c1-30-21-11-8-17(24)12-19(21)23(29)26-13-15-6-9-18(10-7-15)28-14-20(25)22(27-28)16-4-2-3-5-16/h6-12,14,16H,2-5,13,25H2,1H3,(H,26,29)
InChIKeyHGCGMOMTJWDXGB-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.19
Rot. Bonds6

About N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 166519054) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID166519054
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2cc(N)c(C3CCCC3)n2)cc1
InChIInChI=1S/C23H25FN4O2/c1-30-21-11-8-17(24)12-19(21)23(29)26-13-15-6-9-18(10-7-15)28-14-20(25)22(27-28)16-4-2-3-5-16/h6-12,14,16H,2-5,13,25H2,1H3,(H,26,29)
InChIKeyHGCGMOMTJWDXGB-UHFFFAOYSA-N
XLogP4.19
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
N-[[4-[4-amino-7-(4-hydroxycyclohexyl)pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 167439428
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
5-amino-1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248194
5-amino-1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248424
N-[[4-[5-amino-4-(aminomethyl)-1-cyclopentylpyrazol-3-yl]-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 170415627
N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 129270240
N-[[4-[5-amino-4-cyano-1-(1-cyclohexyl-2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 129248526
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 166519054) is N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-n2cc(N)c(C3CCCC3)n2)cc1.
What is the InChIKey of N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is HGCGMOMTJWDXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-21-11-8-17(24)12-19(21)23(29)26-13-15-6-9-18(10-7-15)28-14-20(25)22(27-28)16-4-2-3-5-16/h6-12,14,16H,2-5,13,25H2,1H3,(H,26,29).
What are the key properties of N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 408.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 166519054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).