2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide

C18H28N4O2 — CID 128915274

IUPAC2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC2C2CCCC2)cn1
InChIInChI=1S/C18H28N4O2/c1-21-12-14(11-19-21)17-15(8-10-24-17)20-18(23)22-9-4-7-16(22)13-5-2-3-6-13/h11-13,15-17H,2-10H2,1H3,(H,20,23)/t15-,16?,17+/m1/s1
InChIKeyMTPGPRYYJGCWCO-SKQWJGTPSA-N
MW332.45 g/mol
LogP2.61
Rot. Bonds3

About 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide

2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 128915274) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide
PubChem CID128915274
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC2C2CCCC2)cn1
InChIInChI=1S/C18H28N4O2/c1-21-12-14(11-19-21)17-15(8-10-24-17)20-18(23)22-9-4-7-16(22)13-5-2-3-6-13/h11-13,15-17H,2-10H2,1H3,(H,20,23)/t15-,16?,17+/m1/s1
InChIKeyMTPGPRYYJGCWCO-SKQWJGTPSA-N
XLogP2.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 97392012
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CID 119034403
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CID 164631338
CID 164631338
CID 164640819
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CID 129475288
CID 129475288
CID 122012094
CID 122012094
CID 128736970
CID 128736970
CID 128914698
CID 128914698
CID 128914803
CID 128914803
CID 132368969
CID 132368969
CID 71865675
CID 71865675
CID 71928578
CID 71928578

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide (CID 128915274) is 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide is Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCCC2C2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is MTPGPRYYJGCWCO-SKQWJGTPSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-12-14(11-19-21)17-15(8-10-24-17)20-18(23)22-9-4-7-16(22)13-5-2-3-6-13/h11-13,15-17H,2-10H2,1H3,(H,20,23)/t15-,16?,17+/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 128915274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).