2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C19H21ClN6 — CID 1484420

IUPAC2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCn1nc(-c2ccccc2)c(CN2CCN(c3ncccn3)CC2)c1Cl
InChIInChI=1S/C19H21ClN6/c1-24-18(20)16(17(23-24)15-6-3-2-4-7-15)14-25-10-12-26(13-11-25)19-21-8-5-9-22-19/h2-9H,10-14H2,1H3
InChIKeyJNHKRDZGEYWBDO-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 1484420) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID1484420
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCn1nc(-c2ccccc2)c(CN2CCN(c3ncccn3)CC2)c1Cl
InChIInChI=1S/C19H21ClN6/c1-24-18(20)16(17(23-24)15-6-3-2-4-7-15)14-25-10-12-26(13-11-25)19-21-8-5-9-22-19/h2-9H,10-14H2,1H3
InChIKeyJNHKRDZGEYWBDO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 1484420) is 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is Cn1nc(-c2ccccc2)c(CN2CCN(c3ncccn3)CC2)c1Cl.
What is the InChIKey of 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is JNHKRDZGEYWBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-24-18(20)16(17(23-24)15-6-3-2-4-7-15)14-25-10-12-26(13-11-25)19-21-8-5-9-22-19/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 368.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 1484420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).