3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide

C11H18N4O — CID 90729387

IUPAC3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(N)n[nH]c1C1CCCCC1
InChIInChI=1S/C11H18N4O/c1-13-11(16)8-9(14-15-10(8)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeyQXIHEBPEEHIEFU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide

3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 90729387) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID90729387
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(N)n[nH]c1C1CCCCC1
InChIInChI=1S/C11H18N4O/c1-13-11(16)8-9(14-15-10(8)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeyQXIHEBPEEHIEFU-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide (CID 90729387) is 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1c(N)n[nH]c1C1CCCCC1.
What is the InChIKey of 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is QXIHEBPEEHIEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-11(16)8-9(14-15-10(8)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 90729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).