N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C15H26N4O2 — CID 74234574

IUPACN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOCCCN1CCC(CNC(=O)c2cc(C)nn2C)C1
InChIInChI=1S/C15H26N4O2/c1-12-9-14(18(2)17-12)15(20)16-10-13-5-7-19(11-13)6-4-8-21-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,20)
InChIKeyJYGRWLJBOVCAEW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.82
Rot. Bonds7

About N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 74234574) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID74234574
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOCCCN1CCC(CNC(=O)c2cc(C)nn2C)C1
InChIInChI=1S/C15H26N4O2/c1-12-9-14(18(2)17-12)15(20)16-10-13-5-7-19(11-13)6-4-8-21-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,20)
InChIKeyJYGRWLJBOVCAEW-UHFFFAOYSA-N
XLogP0.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 74234574) is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is COCCCN1CCC(CNC(=O)c2cc(C)nn2C)C1.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JYGRWLJBOVCAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-9-14(18(2)17-12)15(20)16-10-13-5-7-19(11-13)6-4-8-21-3/h9,13H,4-8,10-11H2,1-3H3,(H,16,20).
What are the key properties of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 74234574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).