N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C10H15ClF3N3 — CID 62960160

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)CCC(F)(F)F
InChIInChI=1S/C10H15ClF3N3/c1-7-8(9(11)17(3)15-7)6-16(2)5-4-10(12,13)14/h4-6H2,1-3H3
InChIKeyOOOFKILKZBBECN-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.77
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 62960160) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID62960160
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)CCC(F)(F)F
InChIInChI=1S/C10H15ClF3N3/c1-7-8(9(11)17(3)15-7)6-16(2)5-4-10(12,13)14/h4-6H2,1-3H3
InChIKeyOOOFKILKZBBECN-UHFFFAOYSA-N
XLogP2.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 62960160) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is Cc1nn(C)c(Cl)c1CN(C)CCC(F)(F)F.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is OOOFKILKZBBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-7-8(9(11)17(3)15-7)6-16(2)5-4-10(12,13)14/h4-6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 269.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 62960160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).