[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C14H21N3O2 — CID 110271074

IUPAC[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H21N3O2/c1-10-8-15-16-13(10)12-2-5-17(9-12)14(18)11-3-6-19-7-4-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)
InChIKeyXUKOACMNPXACCV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.46
Rot. Bonds2

About [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110271074) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110271074
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H21N3O2/c1-10-8-15-16-13(10)12-2-5-17(9-12)14(18)11-3-6-19-7-4-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)
InChIKeyXUKOACMNPXACCV-UHFFFAOYSA-N
XLogP1.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110256008
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269329
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
[(2S,3R)-3-methyloxolan-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 128582580
(2-Ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 136521806
4-ethoxy-1-[(7S)-7-methyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl]butan-1-one
CID 164631890
N-[(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)cyclobutane-1-carboxamide
CID 166276502
[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45168786
1-(butoxyacetyl)-4-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56745601
1-(2-methoxyethyl)-4-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)pyrrolidin-2-one
CID 118762548

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 110271074) is [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is Cc1cn[nH]c1C1CCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is XUKOACMNPXACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-15-16-13(10)12-2-5-17(9-12)14(18)11-3-6-19-7-4-11/h8,11-12H,2-7,9H2,1H3,(H,15,16).
What are the key properties of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110271074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).