N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide

C18H25FN4O2 — CID 119660352

IUPACN-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C18H25FN4O2/c1-11(2)14(20)7-8-22(4)18(25)17-16(24)10-23(21-17)15-6-5-13(19)9-12(15)3/h5-6,9-11,14,24H,7-8,20H2,1-4H3
InChIKeyPARNYFIWDRHYDO-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.47
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide

N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide (PubChem CID 119660352) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
PubChem CID119660352
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C18H25FN4O2/c1-11(2)14(20)7-8-22(4)18(25)17-16(24)10-23(21-17)15-6-5-13(19)9-12(15)3/h5-6,9-11,14,24H,7-8,20H2,1-4H3
InChIKeyPARNYFIWDRHYDO-UHFFFAOYSA-N
XLogP2.47
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide (CID 119660352) is N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)N(C)CCC(N)C(C)C)n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide?
The InChIKey is PARNYFIWDRHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-11(2)14(20)7-8-22(4)18(25)17-16(24)10-23(21-17)15-6-5-13(19)9-12(15)3/h5-6,9-11,14,24H,7-8,20H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide?
N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 119660352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).