4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine

C9H9ClF3N5 — CID 19618528

IUPAC4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
SMILESCc1cc(C(F)(F)F)nn1Cn1cc(Cl)c(N)n1
InChIInChI=1S/C9H9ClF3N5/c1-5-2-7(9(11,12)13)15-18(5)4-17-3-6(10)8(14)16-17/h2-3H,4H2,1H3,(H2,14,16)
InChIKeyJNYRQMGCMROCGQ-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.15
Rot. Bonds2

About 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine

4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine (PubChem CID 19618528) has the molecular formula C9H9ClF3N5 and a molecular weight of 279.65 g/mol. Its IUPAC name is 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
PubChem CID19618528
Molecular FormulaC9H9ClF3N5
Molecular Weight279.65 g/mol
Exact Mass279.05
IUPAC Name4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
SMILESCc1cc(C(F)(F)F)nn1Cn1cc(Cl)c(N)n1
InChIInChI=1S/C9H9ClF3N5/c1-5-2-7(9(11,12)13)15-18(5)4-17-3-6(10)8(14)16-17/h2-3H,4H2,1H3,(H2,14,16)
InChIKeyJNYRQMGCMROCGQ-UHFFFAOYSA-N
XLogP2.15
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine (CID 19618528) is 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine is Cc1cc(C(F)(F)F)nn1Cn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The InChIKey is JNYRQMGCMROCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N5/c1-5-2-7(9(11,12)13)15-18(5)4-17-3-6(10)8(14)16-17/h2-3H,4H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine has a molecular weight of 279.65 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19618528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).