5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C18H19N5O2S — CID 45243445

IUPAC5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N2CCCC2c2ccc(C(N)=O)s2)[nH]n1
InChIInChI=1S/C18H19N5O2S/c1-22-8-2-4-13(22)11-10-12(21-20-11)18(25)23-9-3-5-14(23)15-6-7-16(26-15)17(19)24/h2,4,6-8,10,14H,3,5,9H2,1H3,(H2,19,24)(H,20,21)
InChIKeyXBHBFTZENWVCQF-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.55
Rot. Bonds4

About 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45243445) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45243445
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N2CCCC2c2ccc(C(N)=O)s2)[nH]n1
InChIInChI=1S/C18H19N5O2S/c1-22-8-2-4-13(22)11-10-12(21-20-11)18(25)23-9-3-5-14(23)15-6-7-16(26-15)17(19)24/h2,4,6-8,10,14H,3,5,9H2,1H3,(H2,19,24)(H,20,21)
InChIKeyXBHBFTZENWVCQF-UHFFFAOYSA-N
XLogP2.55
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202
3-Propan-2-yl-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366110
US10022354, Example 81
CID 121279585
3-(1-Methyl-1H-pyrrol-2-YL)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
CID 5345439
5-(5-Methyl-2-thienyl)-1H-pyrazole-3-carboxylic acid 2-(4-pyridinylmethylene)hydrazide
CID 687770
3-(5-Methyl-2-thienyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869522
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45220434
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 53574501
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 56779288
(4aR*,7aS*)-1-ethyl-4-{[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]carbonyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70706181
2-(1-{[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]carbonyl}-2-pyrrolidinyl)-1,3-thiazole
CID 70708075

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45243445) is 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is Cn1cccc1-c1cc(C(=O)N2CCCC2c2ccc(C(N)=O)s2)[nH]n1.
What is the InChIKey of 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is XBHBFTZENWVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-8-2-4-13(22)11-10-12(21-20-11)18(25)23-9-3-5-14(23)15-6-7-16(26-15)17(19)24/h2,4,6-8,10,14H,3,5,9H2,1H3,(H2,19,24)(H,20,21).
What are the key properties of 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45243445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).