(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C19H25N5O — CID 120995115

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(N3CCNCC3)C2)cnn1-c1ccccc1
InChIInChI=1S/C19H25N5O/c1-15-18(13-21-24(15)16-5-3-2-4-6-16)19(25)23-10-7-17(14-23)22-11-8-20-9-12-22/h2-6,13,17,20H,7-12,14H2,1H3
InChIKeyDSJYKLYFADYWEK-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.30
Rot. Bonds3

About (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120995115) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120995115
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(N3CCNCC3)C2)cnn1-c1ccccc1
InChIInChI=1S/C19H25N5O/c1-15-18(13-21-24(15)16-5-3-2-4-6-16)19(25)23-10-7-17(14-23)22-11-8-20-9-12-22/h2-6,13,17,20H,7-12,14H2,1H3
InChIKeyDSJYKLYFADYWEK-UHFFFAOYSA-N
XLogP1.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120995115) is (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is Cc1c(C(=O)N2CCC(N3CCNCC3)C2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is DSJYKLYFADYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-18(13-21-24(15)16-5-3-2-4-6-16)19(25)23-10-7-17(14-23)22-11-8-20-9-12-22/h2-6,13,17,20H,7-12,14H2,1H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120995115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).