5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine

C15H16ClN5 — CID 139644356

IUPAC5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C2CC(c3ccc(Cl)cc3)=NN2)cn1
InChIInChI=1S/C15H16ClN5/c1-21(2)15-17-8-11(9-18-15)14-7-13(19-20-14)10-3-5-12(16)6-4-10/h3-6,8-9,14,20H,7H2,1-2H3
InChIKeyBBJBVJNSTKJQHE-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.63
Rot. Bonds3

About 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine

5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 139644356) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID139644356
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C2CC(c3ccc(Cl)cc3)=NN2)cn1
InChIInChI=1S/C15H16ClN5/c1-21(2)15-17-8-11(9-18-15)14-7-13(19-20-14)10-3-5-12(16)6-4-10/h3-6,8-9,14,20H,7H2,1-2H3
InChIKeyBBJBVJNSTKJQHE-UHFFFAOYSA-N
XLogP2.63
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine (CID 139644356) is 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(C2CC(c3ccc(Cl)cc3)=NN2)cn1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is BBJBVJNSTKJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-21(2)15-17-8-11(9-18-15)14-7-13(19-20-14)10-3-5-12(16)6-4-10/h3-6,8-9,14,20H,7H2,1-2H3.
What are the key properties of 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine?
5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 301.78 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 139644356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).