N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide

C14H23N5O2 — CID 74232639

IUPACN-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCCN2CCNC(=O)C2)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-2-4-11-9-12(18-17-11)14(21)16-5-3-7-19-8-6-15-13(20)10-19/h9H,2-8,10H2,1H3,(H,15,20)(H,16,21)(H,17,18)
InChIKeyPENQMOTVUPLWQV-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.09
Rot. Bonds7

About N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 74232639) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID74232639
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCCN2CCNC(=O)C2)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-2-4-11-9-12(18-17-11)14(21)16-5-3-7-19-8-6-15-13(20)10-19/h9H,2-8,10H2,1H3,(H,15,20)(H,16,21)(H,17,18)
InChIKeyPENQMOTVUPLWQV-UHFFFAOYSA-N
XLogP-0.09
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70734717
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78879680
5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119391192
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118792289
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 172658261

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 74232639) is N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCCCN2CCNC(=O)C2)n[nH]1.
What is the InChIKey of N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PENQMOTVUPLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-4-11-9-12(18-17-11)14(21)16-5-3-7-19-8-6-15-13(20)10-19/h9H,2-8,10H2,1H3,(H,15,20)(H,16,21)(H,17,18).
What are the key properties of N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74232639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).