4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide

C10H18N4O — CID 3061962

IUPAC4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(C)C)c1N
InChIInChI=1S/C10H18N4O/c1-6(2)4-5-12-10(15)9-8(11)7(3)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyMYBOSVWEIVQZFM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide (PubChem CID 3061962) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
PubChem CID3061962
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(C)C)c1N
InChIInChI=1S/C10H18N4O/c1-6(2)4-5-12-10(15)9-8(11)7(3)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyMYBOSVWEIVQZFM-UHFFFAOYSA-N
XLogP1.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide (CID 3061962) is 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCC(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MYBOSVWEIVQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)4-5-12-10(15)9-8(11)7(3)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3061962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).