3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine

C8H12ClF2N3 — CID 165466536

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)Cn1ncc(Cl)c1C
InChIInChI=1S/C8H12ClF2N3/c1-6-7(9)3-13-14(6)5-8(10,11)4-12-2/h3,12H,4-5H2,1-2H3
InChIKeyBUGGKFSVJLJFQO-UHFFFAOYSA-N
MW223.65 g/mol
LogP1.70
Rot. Bonds4

About 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine

3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 165466536) has the molecular formula C8H12ClF2N3 and a molecular weight of 223.65 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID165466536
Molecular FormulaC8H12ClF2N3
Molecular Weight223.65 g/mol
Exact Mass223.07
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)Cn1ncc(Cl)c1C
InChIInChI=1S/C8H12ClF2N3/c1-6-7(9)3-13-14(6)5-8(10,11)4-12-2/h3,12H,4-5H2,1-2H3
InChIKeyBUGGKFSVJLJFQO-UHFFFAOYSA-N
XLogP1.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64810937
3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64811575
4-chloro-5-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrazole
CID 99827721
3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64810522
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
CID 103057413
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
CID 165467071
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19520612
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19553897
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
4-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157500

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine (CID 165466536) is 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine is CNCC(F)(F)Cn1ncc(Cl)c1C.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is BUGGKFSVJLJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N3/c1-6-7(9)3-13-14(6)5-8(10,11)4-12-2/h3,12H,4-5H2,1-2H3.
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 223.65 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).