N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

C26H29N5O2S — CID 55535112

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C26H29N5O2S/c32-24(18-34-25-13-12-20(17-27-25)26(33)30-14-6-7-15-30)28-23-16-22(19-8-4-5-9-19)29-31(23)21-10-2-1-3-11-21/h1-3,10-13,16-17,19H,4-9,14-15,18H2,(H,28,32)
InChIKeySBDTXWJVSGEBGP-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.89
Rot. Bonds7

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55535112) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID55535112
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C26H29N5O2S/c32-24(18-34-25-13-12-20(17-27-25)26(33)30-14-6-7-15-30)28-23-16-22(19-8-4-5-9-19)29-31(23)21-10-2-1-3-11-21/h1-3,10-13,16-17,19H,4-9,14-15,18H2,(H,28,32)
InChIKeySBDTXWJVSGEBGP-UHFFFAOYSA-N
XLogP4.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (CID 55535112) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1cc(C2CCCC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is SBDTXWJVSGEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c32-24(18-34-25-13-12-20(17-27-25)26(33)30-14-6-7-15-30)28-23-16-22(19-8-4-5-9-19)29-31(23)21-10-2-1-3-11-21/h1-3,10-13,16-17,19H,4-9,14-15,18H2,(H,28,32).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55535112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).