4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine

C16H14ClN5 — CID 44591676

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CC3)n2)cc1
InChIInChI=1S/C16H14ClN5/c17-11-3-1-10(2-4-11)15-13(9-19-22-15)14-7-8-18-16(21-14)20-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyMADKYDDGPHTDEP-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.76
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine (PubChem CID 44591676) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine
PubChem CID44591676
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CC3)n2)cc1
InChIInChI=1S/C16H14ClN5/c17-11-3-1-10(2-4-11)15-13(9-19-22-15)14-7-8-18-16(21-14)20-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyMADKYDDGPHTDEP-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine (CID 44591676) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine is Clc1ccc(-c2[nH]ncc2-c2ccnc(NC3CC3)n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine?
The InChIKey is MADKYDDGPHTDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-11-3-1-10(2-4-11)15-13(9-19-22-15)14-7-8-18-16(21-14)20-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,19,22)(H,18,20,21).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine has a molecular weight of 311.78 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 44591676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).