4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide

C13H18N4O — CID 106208189

IUPAC4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
SMILESC#CCCCCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H18N4O/c1-2-3-4-5-8-15-13(18)12-10(14)11(16-17-12)9-6-7-9/h1,9H,3-8,14H2,(H,15,18)(H,16,17)
InChIKeyLRIIZONASLSXHI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide (PubChem CID 106208189) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
PubChem CID106208189
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
SMILESC#CCCCCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H18N4O/c1-2-3-4-5-8-15-13(18)12-10(14)11(16-17-12)9-6-7-9/h1,9H,3-8,14H2,(H,15,18)(H,16,17)
InChIKeyLRIIZONASLSXHI-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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4-amino-N-hex-5-ynyl-5-propyl-1H-pyrazole-3-carboxamide
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CID 115405300
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide (CID 106208189) is 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide is C#CCCCCNC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide?
The InChIKey is LRIIZONASLSXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-3-4-5-8-15-13(18)12-10(14)11(16-17-12)9-6-7-9/h1,9H,3-8,14H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106208189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).