2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine

C19H21N7 — CID 163356852

IUPAC2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESc1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C19H21N7/c1-3-16(22-18(4-1)26-10-2-8-21-26)24-11-13-25(14-12-24)17-7-9-20-19(23-17)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2
InChIKeyFPJOYJMHZMCHHZ-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.26
Rot. Bonds4

About 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine

2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 163356852) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID163356852
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESc1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C19H21N7/c1-3-16(22-18(4-1)26-10-2-8-21-26)24-11-13-25(14-12-24)17-7-9-20-19(23-17)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2
InChIKeyFPJOYJMHZMCHHZ-UHFFFAOYSA-N
XLogP2.26
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 163356852) is 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine is c1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)nc(-n2cccn2)c1.
What is the InChIKey of 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is FPJOYJMHZMCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-16(22-18(4-1)26-10-2-8-21-26)24-11-13-25(14-12-24)17-7-9-20-19(23-17)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2.
What are the key properties of 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163356852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).