N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H24N4OS — CID 95338495

IUPACN-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cn1cccn1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H24N4OS/c23-18(22(15-6-7-15)13-17-5-2-11-24-17)14-20-9-1-4-16(20)12-21-10-3-8-19-21/h2-3,5,8,10-11,15-16H,1,4,6-7,9,12-14H2/t16-/m1/s1
InChIKeyMTACCUXYOUGMLO-MRXNPFEDSA-N
MW344.48 g/mol
LogP2.60
Rot. Bonds7

About N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95338495) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95338495
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cn1cccn1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H24N4OS/c23-18(22(15-6-7-15)13-17-5-2-11-24-17)14-20-9-1-4-16(20)12-21-10-3-8-19-21/h2-3,5,8,10-11,15-16H,1,4,6-7,9,12-14H2/t16-/m1/s1
InChIKeyMTACCUXYOUGMLO-MRXNPFEDSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95609417
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 26320099
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571
1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95329045
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 95338495) is N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC[C@@H]1Cn1cccn1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MTACCUXYOUGMLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(22(15-6-7-15)13-17-5-2-11-24-17)14-20-9-1-4-16(20)12-21-10-3-8-19-21/h2-3,5,8,10-11,15-16H,1,4,6-7,9,12-14H2/t16-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95338495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).