N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine

C13H21N3 — CID 91177724

IUPACN-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine
SMILESc1c(NCC2CCCCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H21N3/c1-2-4-10(5-3-1)9-14-13-8-12(15-16-13)11-6-7-11/h8,10-11H,1-7,9H2,(H2,14,15,16)
InChIKeyVQFJAYBNMRETIQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.28
Rot. Bonds4

About N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine

N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 91177724) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine
PubChem CID91177724
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine
SMILESc1c(NCC2CCCCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H21N3/c1-2-4-10(5-3-1)9-14-13-8-12(15-16-13)11-6-7-11/h8,10-11H,1-7,9H2,(H2,14,15,16)
InChIKeyVQFJAYBNMRETIQ-UHFFFAOYSA-N
XLogP3.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine (CID 91177724) is N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine is c1c(NCC2CCCCC2)n[nH]c1C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is VQFJAYBNMRETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-4-10(5-3-1)9-14-13-8-12(15-16-13)11-6-7-11/h8,10-11H,1-7,9H2,(H2,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine?
N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 91177724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).