(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C18H25N5O — CID 56813349

IUPAC(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCN(Cc3ccccn3)CC2)cnn1C
InChIInChI=1S/C18H25N5O/c1-3-6-17-16(13-20-21(17)2)18(24)23-11-9-22(10-12-23)14-15-7-4-5-8-19-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyNMJPZFTYUIZINA-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.73
Rot. Bonds5

About (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56813349) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID56813349
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCN(Cc3ccccn3)CC2)cnn1C
InChIInChI=1S/C18H25N5O/c1-3-6-17-16(13-20-21(17)2)18(24)23-11-9-22(10-12-23)14-15-7-4-5-8-19-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyNMJPZFTYUIZINA-UHFFFAOYSA-N
XLogP1.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 56813349) is (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is CCCc1c(C(=O)N2CCN(Cc3ccccn3)CC2)cnn1C.
What is the InChIKey of (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NMJPZFTYUIZINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-6-17-16(13-20-21(17)2)18(24)23-11-9-22(10-12-23)14-15-7-4-5-8-19-15/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3.
What are the key properties of (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
(1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56813349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).