[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

C17H27N5O2 — CID 56909569

IUPAC[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(C)n1
InChIInChI=1S/C17H27N5O2/c1-3-7-21-12-14(13(2)19-21)16(23)22-10-6-18-11-15(22)17(24)20-8-4-5-9-20/h12,15,18H,3-11H2,1-2H3
InChIKeyUUGDPXHZYAORKG-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.64
Rot. Bonds4

About [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56909569) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56909569
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(C)n1
InChIInChI=1S/C17H27N5O2/c1-3-7-21-12-14(13(2)19-21)16(23)22-10-6-18-11-15(22)17(24)20-8-4-5-9-20/h12,15,18H,3-11H2,1-2H3
InChIKeyUUGDPXHZYAORKG-UHFFFAOYSA-N
XLogP0.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Etipirol
CID 166751
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CID 165415372
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-2-one
CID 45830695
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
2-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 53526983
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56909569) is [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is CCCn1cc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(C)n1.
What is the InChIKey of [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UUGDPXHZYAORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-7-21-12-14(13(2)19-21)16(23)22-10-6-18-11-15(22)17(24)20-8-4-5-9-20/h12,15,18H,3-11H2,1-2H3.
What are the key properties of [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.44 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56909569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).