5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide

C8H14N4O — CID 43159390

IUPAC5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn[nH]c1N
InChIInChI=1S/C8H14N4O/c1-3-5(2)11-8(13)6-4-10-12-7(6)9/h4-5H,3H2,1-2H3,(H,11,13)(H3,9,10,12)
InChIKeyXQSVSNDTGUCXEM-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.52
Rot. Bonds3

About 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide

5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 43159390) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID43159390
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn[nH]c1N
InChIInChI=1S/C8H14N4O/c1-3-5(2)11-8(13)6-4-10-12-7(6)9/h4-5H,3H2,1-2H3,(H,11,13)(H3,9,10,12)
InChIKeyXQSVSNDTGUCXEM-UHFFFAOYSA-N
XLogP0.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide (CID 43159390) is 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide is CCC(C)NC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XQSVSNDTGUCXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-5(2)11-8(13)6-4-10-12-7(6)9/h4-5H,3H2,1-2H3,(H,11,13)(H3,9,10,12).
What are the key properties of 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide?
5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).