2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C18H19N3O2 — CID 124974332

IUPAC2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H19N3O2/c1-12-9-19-20-17(12)14-6-7-21(10-14)18(22)15-8-13-4-2-3-5-16(13)23-11-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyKQBDTCROZRLIJT-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.51
Rot. Bonds2

About 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124974332) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124974332
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H19N3O2/c1-12-9-19-20-17(12)14-6-7-21(10-14)18(22)15-8-13-4-2-3-5-16(13)23-11-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyKQBDTCROZRLIJT-AWEZNQCLSA-N
XLogP2.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
1,3-benzodioxol-5-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124961819
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
CID 51478181
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421
(E)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 124979520
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124974332) is 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cn[nH]c1[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1.
What is the InChIKey of 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KQBDTCROZRLIJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-9-19-20-17(12)14-6-7-21(10-14)18(22)15-8-13-4-2-3-5-16(13)23-11-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124974332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).