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

C10H9ClF3N5 — CID 80867891

IUPAC5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9ClF3N5/c1-2-15-9-16-4-7(11)8(18-9)19-5-6(3-17-19)10(12,13)14/h3-5H,2H2,1H3,(H,15,16,18)
InChIKeyDSEKKBMUILHGRL-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.77
Rot. Bonds3

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

5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80867891) has the molecular formula C10H9ClF3N5 and a molecular weight of 291.66 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80867891
Molecular FormulaC10H9ClF3N5
Molecular Weight291.66 g/mol
Exact Mass291.05
IUPAC Name5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9ClF3N5/c1-2-15-9-16-4-7(11)8(18-9)19-5-6(3-17-19)10(12,13)14/h3-5H,2H2,1H3,(H,15,16,18)
InChIKeyDSEKKBMUILHGRL-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80867891) is 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is CCNc1ncc(Cl)c(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is DSEKKBMUILHGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5/c1-2-15-9-16-4-7(11)8(18-9)19-5-6(3-17-19)10(12,13)14/h3-5H,2H2,1H3,(H,15,16,18).
What are the key properties of 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 291.66 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80867891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).