N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide

C13H17N5O — CID 77092254

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]c1
InChIInChI=1S/C13H17N5O/c19-13(11-8-15-16-9-11)14-5-1-7-18-12(4-6-17-18)10-2-3-10/h4,6,8-10H,1-3,5,7H2,(H,14,19)(H,15,16)
InChIKeyIYFAUXFVETUAMU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds6

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 77092254) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide
PubChem CID77092254
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]c1
InChIInChI=1S/C13H17N5O/c19-13(11-8-15-16-9-11)14-5-1-7-18-12(4-6-17-18)10-2-3-10/h4,6,8-10H,1-3,5,7H2,(H,14,19)(H,15,16)
InChIKeyIYFAUXFVETUAMU-UHFFFAOYSA-N
XLogP1.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide (CID 77092254) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide is O=C(NCCCn1nccc1C1CC1)c1cn[nH]c1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IYFAUXFVETUAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(11-8-15-16-9-11)14-5-1-7-18-12(4-6-17-18)10-2-3-10/h4,6,8-10H,1-3,5,7H2,(H,14,19)(H,15,16).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77092254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).