3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine

C17H19N5 — CID 142337220

IUPAC3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
SMILESCCc1ncc(-c2nn(-c3ccccc3)c(NC)c2C)cn1
InChIInChI=1S/C17H19N5/c1-4-15-19-10-13(11-20-15)16-12(2)17(18-3)22(21-16)14-8-6-5-7-9-14/h5-11,18H,4H2,1-3H3
InChIKeyVHJLWDVSACZPGD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.24
Rot. Bonds4

About 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine

3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine (PubChem CID 142337220) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
PubChem CID142337220
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
SMILESCCc1ncc(-c2nn(-c3ccccc3)c(NC)c2C)cn1
InChIInChI=1S/C17H19N5/c1-4-15-19-10-13(11-20-15)16-12(2)17(18-3)22(21-16)14-8-6-5-7-9-14/h5-11,18H,4H2,1-3H3
InChIKeyVHJLWDVSACZPGD-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine (CID 142337220) is 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine is CCc1ncc(-c2nn(-c3ccccc3)c(NC)c2C)cn1.
What is the InChIKey of 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine?
The InChIKey is VHJLWDVSACZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-4-15-19-10-13(11-20-15)16-12(2)17(18-3)22(21-16)14-8-6-5-7-9-14/h5-11,18H,4H2,1-3H3.
What are the key properties of 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine?
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 142337220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).