N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide

C12H20N4O — CID 79531500

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
SMILESNc1[nH]ncc1CNC(=O)CC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-12-10(8-15-16-12)7-14-11(17)6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16)
InChIKeyMBCNLVUNAFECAT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.58
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide (PubChem CID 79531500) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
PubChem CID79531500
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
SMILESNc1[nH]ncc1CNC(=O)CC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-12-10(8-15-16-12)7-14-11(17)6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16)
InChIKeyMBCNLVUNAFECAT-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 79529402
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79530288
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide (CID 79531500) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide is Nc1[nH]ncc1CNC(=O)CC1CCCCC1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide?
The InChIKey is MBCNLVUNAFECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-12-10(8-15-16-12)7-14-11(17)6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide is sourced from PubChem (CID 79531500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).