5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C11H11ClF3N5 — CID 80868652

IUPAC5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H11ClF3N5/c1-2-3-16-10-17-5-8(12)9(19-10)20-6-7(4-18-20)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17,19)
InChIKeyNPJQLYVRKZAOFP-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80868652) has the molecular formula C11H11ClF3N5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80868652
Molecular FormulaC11H11ClF3N5
Molecular Weight305.69 g/mol
Exact Mass305.07
IUPAC Name5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H11ClF3N5/c1-2-3-16-10-17-5-8(12)9(19-10)20-6-7(4-18-20)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17,19)
InChIKeyNPJQLYVRKZAOFP-UHFFFAOYSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80868652) is 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is CCCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is NPJQLYVRKZAOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5/c1-2-3-16-10-17-5-8(12)9(19-10)20-6-7(4-18-20)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17,19).
What are the key properties of 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 305.69 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80868652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).