4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide

C15H26N4O2 — CID 62527424

IUPAC4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC2(CO)CCCC(C)C2)c1N
InChIInChI=1S/C15H26N4O2/c1-3-5-11-12(16)13(19-18-11)14(21)17-15(9-20)7-4-6-10(2)8-15/h10,20H,3-9,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPMWLNDURYPIRHT-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62527424) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62527424
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC2(CO)CCCC(C)C2)c1N
InChIInChI=1S/C15H26N4O2/c1-3-5-11-12(16)13(19-18-11)14(21)17-15(9-20)7-4-6-10(2)8-15/h10,20H,3-9,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPMWLNDURYPIRHT-UHFFFAOYSA-N
XLogP1.62
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 62527424) is 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC2(CO)CCCC(C)C2)c1N.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PMWLNDURYPIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-5-11-12(16)13(19-18-11)14(21)17-15(9-20)7-4-6-10(2)8-15/h10,20H,3-9,16H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).