4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine

C18H20N6 — CID 10805650

IUPAC4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
SMILESc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-16(6-3-1)14-22-9-11-23(12-10-22)17-13-18(20-15-19-17)24-8-4-7-21-24/h1-8,13,15H,9-12,14H2
InChIKeyMQMAKYIGIFXTQJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.98
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine

4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine (PubChem CID 10805650) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
PubChem CID10805650
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
SMILESc1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-16(6-3-1)14-22-9-11-23(12-10-22)17-13-18(20-15-19-17)24-8-4-7-21-24/h1-8,13,15H,9-12,14H2
InChIKeyMQMAKYIGIFXTQJ-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163349499
2-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 154883251
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168758
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine (CID 10805650) is 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine is c1ccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine?
The InChIKey is MQMAKYIGIFXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-5-16(6-3-1)14-22-9-11-23(12-10-22)17-13-18(20-15-19-17)24-8-4-7-21-24/h1-8,13,15H,9-12,14H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine?
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 10805650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).