N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C14H22N4O2 — CID 91838881

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCn1cc(CCNC(=O)CCCN2CCCC2=O)cn1
InChIInChI=1S/C14H22N4O2/c1-17-11-12(10-16-17)6-7-15-13(19)4-2-8-18-9-3-5-14(18)20/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyXRBXEYNSOFEGOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 91838881) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID91838881
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCn1cc(CCNC(=O)CCCN2CCCC2=O)cn1
InChIInChI=1S/C14H22N4O2/c1-17-11-12(10-16-17)6-7-15-13(19)4-2-8-18-9-3-5-14(18)20/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyXRBXEYNSOFEGOQ-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
4-chloro-N-(2-phenylethyl)butanamide;methane;1-(2-phenylethyl)pyrrolidin-2-one
CID 158371440
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 91838881) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cn1cc(CCNC(=O)CCCN2CCCC2=O)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XRBXEYNSOFEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-11-12(10-16-17)6-7-15-13(19)4-2-8-18-9-3-5-14(18)20/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 91838881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).