5-amino-N-benzyl-1-methylpyrazole-4-carboxamide

C12H14N4O — CID 13174826

IUPAC5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H14N4O/c1-16-11(13)10(8-15-16)12(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)
InChIKeyAXMLSKZLLAKXDZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.93
Rot. Bonds3

About 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide

5-amino-N-benzyl-1-methylpyrazole-4-carboxamide (PubChem CID 13174826) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
PubChem CID13174826
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H14N4O/c1-16-11(13)10(8-15-16)12(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)
InChIKeyAXMLSKZLLAKXDZ-UHFFFAOYSA-N
XLogP0.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide (CID 13174826) is 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide?
The InChIKey is AXMLSKZLLAKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-11(13)10(8-15-16)12(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17).
What are the key properties of 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide?
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 13174826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).