4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide

C13H16N4O3 — CID 107345092

IUPAC4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(Cn2cc(N)c(C(N)=O)n2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-19-10-4-3-8(5-11(10)20-2)6-17-7-9(14)12(16-17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18)
InChIKeyGHEDSDYCYUBLPE-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide

4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 107345092) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
PubChem CID107345092
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(Cn2cc(N)c(C(N)=O)n2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-19-10-4-3-8(5-11(10)20-2)6-17-7-9(14)12(16-17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18)
InChIKeyGHEDSDYCYUBLPE-UHFFFAOYSA-N
XLogP0.63
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine
CID 61175429
4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 107345465
1-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950166
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103442
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 107345349
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 126811745
4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
CID 107345141
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309
2-[[4-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43555112
1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 126799547

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide (CID 107345092) is 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide is COc1ccc(Cn2cc(N)c(C(N)=O)n2)cc1OC.
What is the InChIKey of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is GHEDSDYCYUBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-10-4-3-8(5-11(10)20-2)6-17-7-9(14)12(16-17)13(15)18/h3-5,7H,6,14H2,1-2H3,(H2,15,18).
What are the key properties of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).