1-(1-aminopentan-3-yl)pyrazole-4-carboxamide

C9H16N4O — CID 64780864

IUPAC1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
SMILESCCC(CCN)n1cc(C(N)=O)cn1
InChIInChI=1S/C9H16N4O/c1-2-8(3-4-10)13-6-7(5-12-13)9(11)14/h5-6,8H,2-4,10H2,1H3,(H2,11,14)
InChIKeyNHVQBVJJVKWFOE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.28
Rot. Bonds5

About 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide

1-(1-aminopentan-3-yl)pyrazole-4-carboxamide (PubChem CID 64780864) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
PubChem CID64780864
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
SMILESCCC(CCN)n1cc(C(N)=O)cn1
InChIInChI=1S/C9H16N4O/c1-2-8(3-4-10)13-6-7(5-12-13)9(11)14/h5-6,8H,2-4,10H2,1H3,(H2,11,14)
InChIKeyNHVQBVJJVKWFOE-UHFFFAOYSA-N
XLogP0.28
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide (CID 64780864) is 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide is CCC(CCN)n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide?
The InChIKey is NHVQBVJJVKWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-8(3-4-10)13-6-7(5-12-13)9(11)14/h5-6,8H,2-4,10H2,1H3,(H2,11,14).
What are the key properties of 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide?
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 64780864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).