N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

C11H20N4O — CID 63754352

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16)
InChIKeyCNUWVWOGGUQEME-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 63754352) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID63754352
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16)
InChIKeyCNUWVWOGGUQEME-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119588537
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(1-amino-4-methylpentan-2-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63888921
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (CID 63754352) is N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is CC(C)CC(CN)NC(=O)c1ccnn1C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is CNUWVWOGGUQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 63754352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).