N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine

C13H23N3 — CID 43435092

IUPACN-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCCCC1
InChIInChI=1S/C13H23N3/c1-12(11-16-9-5-8-15-16)14-10-13-6-3-2-4-7-13/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3
InChIKeyFXVMQSJURBKQNW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.44
Rot. Bonds5

About N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine

N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435092) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435092
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCCCC1
InChIInChI=1S/C13H23N3/c1-12(11-16-9-5-8-15-16)14-10-13-6-3-2-4-7-13/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3
InChIKeyFXVMQSJURBKQNW-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine (CID 43435092) is N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is FXVMQSJURBKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(11-16-9-5-8-15-16)14-10-13-6-3-2-4-7-13/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine?
N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).