4-chloro-1-(3-fluoropropyl)pyrazol-3-amine

C6H9ClFN3 — CID 81107207

IUPAC4-chloro-1-(3-fluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCCF)cc1Cl
InChIInChI=1S/C6H9ClFN3/c7-5-4-11(3-1-2-8)10-6(5)9/h4H,1-3H2,(H2,9,10)
InChIKeyMHXYBAMSTSLDGT-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.48
Rot. Bonds3

About 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine

4-chloro-1-(3-fluoropropyl)pyrazol-3-amine (PubChem CID 81107207) has the molecular formula C6H9ClFN3 and a molecular weight of 177.61 g/mol. Its IUPAC name is 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(3-fluoropropyl)pyrazol-3-amine
PubChem CID81107207
Molecular FormulaC6H9ClFN3
Molecular Weight177.61 g/mol
Exact Mass177.05
IUPAC Name4-chloro-1-(3-fluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCCF)cc1Cl
InChIInChI=1S/C6H9ClFN3/c7-5-4-11(3-1-2-8)10-6(5)9/h4H,1-3H2,(H2,9,10)
InChIKeyMHXYBAMSTSLDGT-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-1H-pyrazol-1-yl)propan-1-amine
CID 19619542
4-Chloro-1-methyl-1H-pyrazol-3-amine
CID 19616928
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
1-(2-fluoroethyl)-1H-pyrazol-3-amine
CID 80697859
4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 131172944
4-methyl-1-propyl-1H-pyrazol-3-amine
CID 45602181
1-Ethyl-4-iodo-1H-pyrazol-3-amine
CID 60136780
4-chloro-1-ethyl-1H-pyrazol-3-amine hydrochloride
CID 90484219
4-chloro-1-(propan-2-yl)-1H-pyrazol-3-amine hydrochloride
CID 90484325

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine (CID 81107207) is 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine is Nc1nn(CCCF)cc1Cl.
What is the InChIKey of 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine?
The InChIKey is MHXYBAMSTSLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFN3/c7-5-4-11(3-1-2-8)10-6(5)9/h4H,1-3H2,(H2,9,10).
What are the key properties of 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine?
4-chloro-1-(3-fluoropropyl)pyrazol-3-amine has a molecular weight of 177.61 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-fluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 81107207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).