1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine

C13H15ClFN3 — CID 102620096

IUPAC1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-9(16)4-10-6-17-18(7-10)8-11-5-12(15)2-3-13(11)14/h2-3,5-7,9H,4,8,16H2,1H3
InChIKeyGWANFBYCCZVCQN-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.61
Rot. Bonds4

About 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine

1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine (PubChem CID 102620096) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
PubChem CID102620096
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-9(16)4-10-6-17-18(7-10)8-11-5-12(15)2-3-13(11)14/h2-3,5-7,9H,4,8,16H2,1H3
InChIKeyGWANFBYCCZVCQN-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 102619521
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 102616760
1-[1-(2-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 62731335

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine (CID 102620096) is 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine?
The InChIKey is GWANFBYCCZVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-9(16)4-10-6-17-18(7-10)8-11-5-12(15)2-3-13(11)14/h2-3,5-7,9H,4,8,16H2,1H3.
What are the key properties of 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine?
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine has a molecular weight of 267.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 102620096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).