(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone

C14H21N3O2 — CID 94199651

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
SMILESCCO[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C14H21N3O2/c1-2-19-11-4-3-7-17(9-11)14(18)13-8-12(15-16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyLURRFVNWXLPEQA-NSHDSACASA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone (PubChem CID 94199651) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
PubChem CID94199651
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
SMILESCCO[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C14H21N3O2/c1-2-19-11-4-3-7-17(9-11)14(18)13-8-12(15-16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyLURRFVNWXLPEQA-NSHDSACASA-N
XLogP1.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
CID 56919120
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 71863575
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569703
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone (CID 94199651) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone is CCO[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone?
The InChIKey is LURRFVNWXLPEQA-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-11-4-3-7-17(9-11)14(18)13-8-12(15-16-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone is sourced from PubChem (CID 94199651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).