4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide

C13H24N4O — CID 65359456

IUPAC4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C13H24N4O/c1-4-5-6-7-8-10(2)16-13(18)12-11(14)9-15-17(12)3/h9-10H,4-8,14H2,1-3H3,(H,16,18)
InChIKeyMKOPRHKYJXHOTI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.09
Rot. Bonds7

About 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide

4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide (PubChem CID 65359456) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
PubChem CID65359456
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C13H24N4O/c1-4-5-6-7-8-10(2)16-13(18)12-11(14)9-15-17(12)3/h9-10H,4-8,14H2,1-3H3,(H,16,18)
InChIKeyMKOPRHKYJXHOTI-UHFFFAOYSA-N
XLogP2.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
octyl 4-amino-1-methylpyrazole-5-carboxylate
CID 65357273
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide (CID 65359456) is 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide is CCCCCCC(C)NC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide?
The InChIKey is MKOPRHKYJXHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-6-7-8-10(2)16-13(18)12-11(14)9-15-17(12)3/h9-10H,4-8,14H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide?
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 65359456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).