1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

C18H24N4O2 — CID 120556372

IUPAC1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCNCC3C)cn2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-9-19-8-7-17(13)21-18(23)15-10-20-22(12-15)11-14-3-5-16(24-2)6-4-14/h3-6,10,12-13,17,19H,7-9,11H2,1-2H3,(H,21,23)
InChIKeyRQHBWHPYSNNFDI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 120556372) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID120556372
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCNCC3C)cn2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-9-19-8-7-17(13)21-18(23)15-10-20-22(12-15)11-14-3-5-16(24-2)6-4-14/h3-6,10,12-13,17,19H,7-9,11H2,1-2H3,(H,21,23)
InChIKeyRQHBWHPYSNNFDI-UHFFFAOYSA-N
XLogP1.67
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120553896
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 166296160
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 120556372) is 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)NC3CCNCC3C)cn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is RQHBWHPYSNNFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-9-19-8-7-17(13)21-18(23)15-10-20-22(12-15)11-14-3-5-16(24-2)6-4-14/h3-6,10,12-13,17,19H,7-9,11H2,1-2H3,(H,21,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120556372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).