3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine

C12H20FN3 — CID 115035084

IUPAC3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCCCC2)c1F
InChIInChI=1S/C12H20FN3/c13-12-10(5-4-8-14)9-15-16(12)11-6-2-1-3-7-11/h9,11H,1-8,14H2
InChIKeyNAMPUGAFBCVSPV-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.42
Rot. Bonds4

About 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine

3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine (PubChem CID 115035084) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine
PubChem CID115035084
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCCCC2)c1F
InChIInChI=1S/C12H20FN3/c13-12-10(5-4-8-14)9-15-16(12)11-6-2-1-3-7-11/h9,11H,1-8,14H2
InChIKeyNAMPUGAFBCVSPV-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25248267
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CID 50987960
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
2,2-dimethyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 54593542
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
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2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine (CID 115035084) is 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine is NCCCc1cnn(C2CCCCC2)c1F.
What is the InChIKey of 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine?
The InChIKey is NAMPUGAFBCVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c13-12-10(5-4-8-14)9-15-16(12)11-6-2-1-3-7-11/h9,11H,1-8,14H2.
What are the key properties of 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine?
3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-5-fluoropyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115035084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).