4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

C19H21ClN6 — CID 66503193

IUPAC4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H21ClN6/c1-14-17(13-26(23-14)16-5-3-15(20)4-6-16)18-7-8-21-19(22-18)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3
InChIKeyDMSLNSVIKSSDSF-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.04
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 66503193) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID66503193
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H21ClN6/c1-14-17(13-26(23-14)16-5-3-15(20)4-6-16)18-7-8-21-19(22-18)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3
InChIKeyDMSLNSVIKSSDSF-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 66503038
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
CID 66503039
ethyl 1-[4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502990
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845
2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine
CID 66502827
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (CID 66503193) is 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is DMSLNSVIKSSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-14-17(13-26(23-14)16-5-3-15(20)4-6-16)18-7-8-21-19(22-18)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 368.87 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 66503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).