2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine

C24H31N7 — CID 59438219

IUPAC2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine
SMILESCc1c(CN2CCN(c3nccnc3N3CCCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H31N7/c1-20-21(18-27-31(20)22-8-4-2-5-9-22)19-28-14-16-30(17-15-28)24-23(25-10-11-26-24)29-12-6-3-7-13-29/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3
InChIKeyGJJWGPDPKJZHGD-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine

2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine (PubChem CID 59438219) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine
PubChem CID59438219
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine
SMILESCc1c(CN2CCN(c3nccnc3N3CCCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H31N7/c1-20-21(18-27-31(20)22-8-4-2-5-9-22)19-28-14-16-30(17-15-28)24-23(25-10-11-26-24)29-12-6-3-7-13-29/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3
InChIKeyGJJWGPDPKJZHGD-UHFFFAOYSA-N
XLogP3.28
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine?
The IUPAC name of 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine (CID 59438219) is 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine.
What is the SMILES notation for 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine?
The canonical SMILES for 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine is Cc1c(CN2CCN(c3nccnc3N3CCCCC3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine?
The InChIKey is GJJWGPDPKJZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-20-21(18-27-31(20)22-8-4-2-5-9-22)19-28-14-16-30(17-15-28)24-23(25-10-11-26-24)29-12-6-3-7-13-29/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3.
What are the key properties of 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine?
2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine has a molecular weight of 417.56 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-3-piperidin-1-ylpyrazine is sourced from PubChem (CID 59438219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).