N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

C17H26N4O2 — CID 77080131

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C)n(CC2(CNC(=O)C(C)N3CCCC3=O)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-12-9-13(2)21(19-12)11-17(6-7-17)10-18-16(23)14(3)20-8-4-5-15(20)22/h9,14H,4-8,10-11H2,1-3H3,(H,18,23)
InChIKeyWURJKXMGXJZYSG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.41
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 77080131) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID77080131
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C)n(CC2(CNC(=O)C(C)N3CCCC3=O)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-12-9-13(2)21(19-12)11-17(6-7-17)10-18-16(23)14(3)20-8-4-5-15(20)22/h9,14H,4-8,10-11H2,1-3H3,(H,18,23)
InChIKeyWURJKXMGXJZYSG-UHFFFAOYSA-N
XLogP1.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 77080131) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is Cc1cc(C)n(CC2(CNC(=O)C(C)N3CCCC3=O)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is WURJKXMGXJZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-9-13(2)21(19-12)11-17(6-7-17)10-18-16(23)14(3)20-8-4-5-15(20)22/h9,14H,4-8,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 77080131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).