N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide

C16H26N4O2 — CID 124753671

IUPACN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CCCN1CCCC1=O
InChIInChI=1S/C16H26N4O2/c1-11-16(12(2)18-17-11)13(3)19(4)14(21)7-5-9-20-10-6-8-15(20)22/h13H,5-10H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyMLPIPTKEBLSZGI-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.95
Rot. Bonds6

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 124753671) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID124753671
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CCCN1CCCC1=O
InChIInChI=1S/C16H26N4O2/c1-11-16(12(2)18-17-11)13(3)19(4)14(21)7-5-9-20-10-6-8-15(20)22/h13H,5-10H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyMLPIPTKEBLSZGI-ZDUSSCGKSA-N
XLogP1.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (CID 124753671) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CCCN1CCCC1=O.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is MLPIPTKEBLSZGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-16(12(2)18-17-11)13(3)19(4)14(21)7-5-9-20-10-6-8-15(20)22/h13H,5-10H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 124753671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).