(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine

C12H12ClF2N3 — CID 114646613

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12ClF2N3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3
InChIKeySMJQHGULRUAXQO-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.88
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine (PubChem CID 114646613) has the molecular formula C12H12ClF2N3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
PubChem CID114646613
Molecular FormulaC12H12ClF2N3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12ClF2N3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3
InChIKeySMJQHGULRUAXQO-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
[(4-chloro-1-ethylpyrazol-5-yl)-(3-chloro-4-fluorophenyl)methyl]hydrazine
CID 105218119
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine (CID 114646613) is (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine is CCn1ncc(Cl)c1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine?
The InChIKey is SMJQHGULRUAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine has a molecular weight of 271.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 114646613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).