4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide

C16H22N4O — CID 66125622

IUPAC4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C16H22N4O/c1-5-20-15(14(17)12(3)18-20)16(21)19(4)10-13-8-6-7-11(2)9-13/h6-9H,5,10,17H2,1-4H3
InChIKeyAKHHQZPVEJAELP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 66125622) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID66125622
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C16H22N4O/c1-5-20-15(14(17)12(3)18-20)16(21)19(4)10-13-8-6-7-11(2)9-13/h6-9H,5,10,17H2,1-4H3
InChIKeyAKHHQZPVEJAELP-UHFFFAOYSA-N
XLogP2.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
CID 66122905
4-amino-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-5-carboxamide
CID 66124474
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
4-amino-1-ethyl-N,3-dimethyl-N-pyridin-2-ylpyrazole-5-carboxamide
CID 66123666
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
methyl 3-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66123492
4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658
4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076393
4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
CID 104550920

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (CID 66125622) is 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)Cc1cccc(C)c1.
What is the InChIKey of 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is AKHHQZPVEJAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-20-15(14(17)12(3)18-20)16(21)19(4)10-13-8-6-7-11(2)9-13/h6-9H,5,10,17H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66125622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).