[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine

C11H19N3 — CID 83818386

IUPAC[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1CC1CCCCC1
InChIInChI=1S/C11H19N3/c12-7-10-8-13-14-11(10)6-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,14)
InChIKeyWZXYXCWYENSAOT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.99
Rot. Bonds3

About [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine

[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 83818386) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID83818386
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1CC1CCCCC1
InChIInChI=1S/C11H19N3/c12-7-10-8-13-14-11(10)6-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,14)
InChIKeyWZXYXCWYENSAOT-UHFFFAOYSA-N
XLogP1.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine (CID 83818386) is [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1CC1CCCCC1.
What is the InChIKey of [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is WZXYXCWYENSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-7-10-8-13-14-11(10)6-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine?
[5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 83818386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).