N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine

C19H19N7 — CID 170574228

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2ccc(-c3ccccc3)n2)n1)c1ccnn1C
InChIInChI=1S/C19H19N7/c1-14(17-8-12-21-25(17)2)22-19-20-11-9-18(23-19)26-13-10-16(24-26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,20,22,23)
InChIKeyYUCVEZPBUWFHCU-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine

N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 170574228) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID170574228
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2ccc(-c3ccccc3)n2)n1)c1ccnn1C
InChIInChI=1S/C19H19N7/c1-14(17-8-12-21-25(17)2)22-19-20-11-9-18(23-19)26-13-10-16(24-26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,20,22,23)
InChIKeyYUCVEZPBUWFHCU-UHFFFAOYSA-N
XLogP3.24
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine (CID 170574228) is N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine is CC(Nc1nccc(-n2ccc(-c3ccccc3)n2)n1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is YUCVEZPBUWFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-14(17-8-12-21-25(17)2)22-19-20-11-9-18(23-19)26-13-10-16(24-26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,20,22,23).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-4-(3-phenylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 170574228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).