4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

C19H21ClN6 — CID 166601673

IUPAC4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(Cc4cccc(Cl)c4)CC3)ncn2)n1
InChIInChI=1S/C19H21ClN6/c1-15-5-6-26(23-15)19-12-18(21-14-22-19)25-9-7-24(8-10-25)13-16-3-2-4-17(20)11-16/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyHTBSUCPTHXRHFU-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.95
Rot. Bonds4

About 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 166601673) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID166601673
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(Cc4cccc(Cl)c4)CC3)ncn2)n1
InChIInChI=1S/C19H21ClN6/c1-15-5-6-26(23-15)19-12-18(21-14-22-19)25-9-7-24(8-10-25)13-16-3-2-4-17(20)11-16/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyHTBSUCPTHXRHFU-UHFFFAOYSA-N
XLogP2.95
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601695
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374
2-methyl-5-[[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171997908
4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605541
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 166601638

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (CID 166601673) is 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is Cc1ccn(-c2cc(N3CCN(Cc4cccc(Cl)c4)CC3)ncn2)n1.
What is the InChIKey of 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is HTBSUCPTHXRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-15-5-6-26(23-15)19-12-18(21-14-22-19)25-9-7-24(8-10-25)13-16-3-2-4-17(20)11-16/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 368.87 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 166601673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).