5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide

C18H18N4O2 — CID 22408169

IUPAC5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide
SMILESCOc1cccc(Cc2ccc(-c3cnn(C(N)=O)c3N)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-4-2-3-13(10-15)9-12-5-7-14(8-6-12)16-11-21-22(17(16)19)18(20)23/h2-8,10-11H,9,19H2,1H3,(H2,20,23)
InChIKeyBFXGLUCBZFNQTE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.66
Rot. Bonds4

About 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide

5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide (PubChem CID 22408169) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide
PubChem CID22408169
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide
SMILESCOc1cccc(Cc2ccc(-c3cnn(C(N)=O)c3N)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-4-2-3-13(10-15)9-12-5-7-14(8-6-12)16-11-21-22(17(16)19)18(20)23/h2-8,10-11H,9,19H2,1H3,(H2,20,23)
InChIKeyBFXGLUCBZFNQTE-UHFFFAOYSA-N
XLogP2.66
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
CID 2815824
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
(3-methoxyphenyl)(113C)methanol
CID 11593446
methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328526
2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112529631

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide (CID 22408169) is 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide is COc1cccc(Cc2ccc(-c3cnn(C(N)=O)c3N)cc2)c1.
What is the InChIKey of 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide?
The InChIKey is BFXGLUCBZFNQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-4-2-3-13(10-15)9-12-5-7-14(8-6-12)16-11-21-22(17(16)19)18(20)23/h2-8,10-11H,9,19H2,1H3,(H2,20,23).
What are the key properties of 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide?
5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 22408169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).