5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide

C20H22N4O2 — CID 55993733

IUPAC5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c1-14(2)10-17-11-18(24-23-17)20(25)22-16-8-9-19(21-12-16)26-13-15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCSLVDQVWZGJRLA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds7

About 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide (PubChem CID 55993733) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
PubChem CID55993733
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c1-14(2)10-17-11-18(24-23-17)20(25)22-16-8-9-19(21-12-16)26-13-15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCSLVDQVWZGJRLA-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
2-bromo-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879442
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
CID 87035340
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 60540872

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide (CID 55993733) is 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CSLVDQVWZGJRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)10-17-11-18(24-23-17)20(25)22-16-8-9-19(21-12-16)26-13-15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55993733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).