4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide

C15H18N4O — CID 62077284

IUPAC4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-2-9-3-7-11(8-4-9)17-15(20)14-12(16)13(18-19-14)10-5-6-10/h3-4,7-8,10H,2,5-6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyZTBPLOVLILFEDQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.68
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077284) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID62077284
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-2-9-3-7-11(8-4-9)17-15(20)14-12(16)13(18-19-14)10-5-6-10/h3-4,7-8,10H,2,5-6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyZTBPLOVLILFEDQ-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide (CID 62077284) is 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide is CCc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZTBPLOVLILFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-9-3-7-11(8-4-9)17-15(20)14-12(16)13(18-19-14)10-5-6-10/h3-4,7-8,10H,2,5-6,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.68, 4 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-(4-ethylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).