[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C17H19N5OS — CID 95350881

IUPAC[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C17H19N5OS/c1-12-9-18-21(10-12)11-13-4-2-6-22(13)17(23)15-8-14(19-20-15)16-5-3-7-24-16/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyCKGWJVCJTUJCDY-CYBMUJFWSA-N
MW341.44 g/mol
LogP2.95
Rot. Bonds4

About [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 95350881) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID95350881
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C17H19N5OS/c1-12-9-18-21(10-12)11-13-4-2-6-22(13)17(23)15-8-14(19-20-15)16-5-3-7-24-16/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyCKGWJVCJTUJCDY-CYBMUJFWSA-N
XLogP2.95
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 95343864
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603251
1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 56778999
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 95350881) is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(-c3cccs3)[nH]n2)c1.
What is the InChIKey of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is CKGWJVCJTUJCDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-9-18-21(10-12)11-13-4-2-6-22(13)17(23)15-8-14(19-20-15)16-5-3-7-24-16/h3,5,7-10,13H,2,4,6,11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 95350881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).