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

C10H16FN3 — CID 115021083

IUPAC3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCC2)c1F
InChIInChI=1S/C10H16FN3/c11-10-8(3-2-6-12)7-13-14(10)9-4-1-5-9/h7,9H,1-6,12H2
InChIKeyZQAKFOVEWGJKPZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.64
Rot. Bonds4

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

3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine (PubChem CID 115021083) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine
PubChem CID115021083
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCC2)c1F
InChIInChI=1S/C10H16FN3/c11-10-8(3-2-6-12)7-13-14(10)9-4-1-5-9/h7,9H,1-6,12H2
InChIKeyZQAKFOVEWGJKPZ-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
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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
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
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-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine (CID 115021083) is 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine is NCCCc1cnn(C2CCC2)c1F.
What is the InChIKey of 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine?
The InChIKey is ZQAKFOVEWGJKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c11-10-8(3-2-6-12)7-13-14(10)9-4-1-5-9/h7,9H,1-6,12H2.
What are the key properties of 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine?
3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine has a molecular weight of 197.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutyl-5-fluoropyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115021083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).