5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide

C14H18N4O — CID 115330998

IUPAC5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)7-8-16-14(19)12-9-17-18(2)13(12)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeySOANXXBKGHUFGT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.28
Rot. Bonds4

About 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide

5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 115330998) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID115330998
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)7-8-16-14(19)12-9-17-18(2)13(12)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKeySOANXXBKGHUFGT-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 91528734
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide (CID 115330998) is 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide is Cc1ccccc1CCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is SOANXXBKGHUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-3-4-6-11(10)7-8-16-14(19)12-9-17-18(2)13(12)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 115330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).