4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 106289355

IUPAC4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-6-13(2,19)7-15-12(18)11-9(14)10(16-17-11)8-4-5-8/h8,19H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySEBWWQADLRVVMP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.15
Rot. Bonds6

About 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide (PubChem CID 106289355) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
PubChem CID106289355
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-6-13(2,19)7-15-12(18)11-9(14)10(16-17-11)8-4-5-8/h8,19H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySEBWWQADLRVVMP-UHFFFAOYSA-N
XLogP1.15
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987
4-amino-5-cyclopropyl-N-[2-(2-hydroxyethyl)pentyl]-1H-pyrazole-3-carboxamide
CID 106113403
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945
4-amino-5-cyclopropyl-N-(2-methylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 62396873

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide (CID 106289355) is 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide is CCCC(C)(O)CNC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SEBWWQADLRVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-6-13(2,19)7-15-12(18)11-9(14)10(16-17-11)8-4-5-8/h8,19H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).