N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide

C9H16N4O — CID 63225607

IUPACN-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCN)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(3-5-10)13(2)9(14)8-4-6-11-12-8/h4,6-7H,3,5,10H2,1-2H3,(H,11,12)
InChIKeyDFYRXYXWBYYHRE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.22
Rot. Bonds4

About N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide

N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63225607) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63225607
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCN)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(3-5-10)13(2)9(14)8-4-6-11-12-8/h4,6-7H,3,5,10H2,1-2H3,(H,11,12)
InChIKeyDFYRXYXWBYYHRE-UHFFFAOYSA-N
XLogP0.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63225607) is N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide is CC(CCN)N(C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is DFYRXYXWBYYHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-5-10)13(2)9(14)8-4-6-11-12-8/h4,6-7H,3,5,10H2,1-2H3,(H,11,12).
What are the key properties of N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide?
N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63225607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).