[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C17H23N5O2 — CID 72855793

IUPAC[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1C
InChIInChI=1S/C17H23N5O2/c1-3-7-22-13(2)14(12-19-22)16(23)20-8-10-21(11-9-20)17(24)15-5-4-6-18-15/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyKUOHUXFZGUCDEL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.53
Rot. Bonds4

About [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 72855793) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID72855793
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1C
InChIInChI=1S/C17H23N5O2/c1-3-7-22-13(2)14(12-19-22)16(23)20-8-10-21(11-9-20)17(24)15-5-4-6-18-15/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyKUOHUXFZGUCDEL-UHFFFAOYSA-N
XLogP1.53
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 72855793) is [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is CCCn1ncc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1C.
What is the InChIKey of [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is KUOHUXFZGUCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-7-22-13(2)14(12-19-22)16(23)20-8-10-21(11-9-20)17(24)15-5-4-6-18-15/h4-6,12,18H,3,7-11H2,1-2H3.
What are the key properties of [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 72855793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).