(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C17H26N4O2 — CID 110108197

IUPAC(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESCCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C17H26N4O2/c1-2-21-14(9-13(18-21)12-5-6-12)17(23)20-10-15(16(22)11-20)19-7-3-4-8-19/h9,12,15-16,22H,2-8,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyCRMOTFJJECKOPK-HZPDHXFCSA-N
MW318.42 g/mol
LogP1.06
Rot. Bonds4

About (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 110108197) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID110108197
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESCCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C17H26N4O2/c1-2-21-14(9-13(18-21)12-5-6-12)17(23)20-10-15(16(22)11-20)19-7-3-4-8-19/h9,12,15-16,22H,2-8,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyCRMOTFJJECKOPK-HZPDHXFCSA-N
XLogP1.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 110108164
2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108181
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
CID 117218466
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
CID 56918196
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 131606295

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 110108197) is (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is CCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1.
What is the InChIKey of (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is CRMOTFJJECKOPK-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-21-14(9-13(18-21)12-5-6-12)17(23)20-10-15(16(22)11-20)19-7-3-4-8-19/h9,12,15-16,22H,2-8,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110108197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).