N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

C16H28N4O — CID 70734866

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC2(C)CCN(C)C2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-6-7-13-10-14(20(5)17-13)15(21)19(4)12-16(2)8-9-18(3)11-16/h10H,6-9,11-12H2,1-5H3
InChIKeyIVHTYZZDDBYPPF-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.79
Rot. Bonds5

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (PubChem CID 70734866) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
PubChem CID70734866
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC2(C)CCN(C)C2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-6-7-13-10-14(20(5)17-13)15(21)19(4)12-16(2)8-9-18(3)11-16/h10H,6-9,11-12H2,1-5H3
InChIKeyIVHTYZZDDBYPPF-UHFFFAOYSA-N
XLogP1.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (CID 70734866) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N(C)CC2(C)CCN(C)C2)n(C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The InChIKey is IVHTYZZDDBYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-7-13-10-14(20(5)17-13)15(21)19(4)12-16(2)8-9-18(3)11-16/h10H,6-9,11-12H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70734866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).