4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H20N4O2 — CID 62076883

IUPAC4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C15H20N4O2/c1-9(2)13-12(16)14(19-18-13)15(20)17-8-10-6-4-5-7-11(10)21-3/h4-7,9H,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHFKLXWASRFSLHM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.05
Rot. Bonds5

About 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076883) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076883
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C15H20N4O2/c1-9(2)13-12(16)14(19-18-13)15(20)17-8-10-6-4-5-7-11(10)21-3/h4-7,9H,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHFKLXWASRFSLHM-UHFFFAOYSA-N
XLogP2.05
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566997
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 154793828
4-amino-N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104758271
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564949
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076741
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076883) is 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HFKLXWASRFSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)13-12(16)14(19-18-13)15(20)17-8-10-6-4-5-7-11(10)21-3/h4-7,9H,8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).