4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

C13H16N4O2 — CID 62082318

IUPAC4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C13H16N4O2/c1-8-11(14)12(16-15-8)13(18)17(2)9-4-6-10(19-3)7-5-9/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyUZPZFXOMPXKVMA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 62082318) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID62082318
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C13H16N4O2/c1-8-11(14)12(16-15-8)13(18)17(2)9-4-6-10(19-3)7-5-9/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyUZPZFXOMPXKVMA-UHFFFAOYSA-N
XLogP1.59
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 110467542
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 25223870
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
4-amino-N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 82949294

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 62082318) is 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is COc1ccc(N(C)C(=O)c2n[nH]c(C)c2N)cc1.
What is the InChIKey of 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is UZPZFXOMPXKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(14)12(16-15-8)13(18)17(2)9-4-6-10(19-3)7-5-9/h4-7H,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).