[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C16H17N5OS — CID 70708075

IUPAC[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCCC2c2nccs2)[nH]n1
InChIInChI=1S/C16H17N5OS/c1-20-7-2-4-13(20)11-10-12(19-18-11)16(22)21-8-3-5-14(21)15-17-6-9-23-15/h2,4,6-7,9-10,14H,3,5,8H2,1H3,(H,18,19)
InChIKeyCWRBFDLMDVLTQF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.85
Rot. Bonds3

About [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 70708075) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID70708075
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCCC2c2nccs2)[nH]n1
InChIInChI=1S/C16H17N5OS/c1-20-7-2-4-13(20)11-10-12(19-18-11)16(22)21-8-3-5-14(21)15-17-6-9-23-15/h2,4,6-7,9-10,14H,3,5,8H2,1H3,(H,18,19)
InChIKeyCWRBFDLMDVLTQF-UHFFFAOYSA-N
XLogP2.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 70708075) is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cn1cccc1-c1cc(C(=O)N2CCCC2c2nccs2)[nH]n1.
What is the InChIKey of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CWRBFDLMDVLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-20-7-2-4-13(20)11-10-12(19-18-11)16(22)21-8-3-5-14(21)15-17-6-9-23-15/h2,4,6-7,9-10,14H,3,5,8H2,1H3,(H,18,19).
What are the key properties of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 327.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70708075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).