4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

C16H22N4O — CID 62082868

IUPAC4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC)Cc2ccccc2C)c1N
InChIInChI=1S/C16H22N4O/c1-4-13-14(17)15(19-18-13)16(21)20(5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyNNUIHBFARWGZQS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082868) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62082868
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC)Cc2ccccc2C)c1N
InChIInChI=1S/C16H22N4O/c1-4-13-14(17)15(19-18-13)16(21)20(5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyNNUIHBFARWGZQS-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 65357893
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
CID 62080806
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78879649
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
4-amino-N-ethyl-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076293
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-N,5-diethyl-N-pyridin-4-yl-1H-pyrazole-3-carboxamide
CID 106934374
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 62082868) is 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CC)Cc2ccccc2C)c1N.
What is the InChIKey of 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NNUIHBFARWGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13-14(17)15(19-18-13)16(21)20(5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).