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

C9H14FN3 — CID 115016462

IUPAC3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CC2)c1F
InChIInChI=1S/C9H14FN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2
InChIKeyIWWBMHMJKCBUGR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.25
Rot. Bonds4

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

3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine (PubChem CID 115016462) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine
PubChem CID115016462
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CC2)c1F
InChIInChI=1S/C9H14FN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2
InChIKeyIWWBMHMJKCBUGR-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.25
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 91647633
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
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
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005785
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CID 43124235
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CID 50988989

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine (CID 115016462) is 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine is NCCCc1cnn(C2CC2)c1F.
What is the InChIKey of 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine?
The InChIKey is IWWBMHMJKCBUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2.
What are the key properties of 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine?
3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-fluoropyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115016462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).