3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole

C18H23N3O — CID 28634815

IUPAC3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
SMILESCOc1cccc([C@@H]2CCCN2Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C18H23N3O/c1-22-16-5-2-4-14(10-16)18-6-3-9-21(18)12-15-11-17(20-19-15)13-7-8-13/h2,4-5,10-11,13,18H,3,6-9,12H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyAIURAZHFHJRXAS-SFHVURJKSA-N
MW297.40 g/mol
LogP3.63
Rot. Bonds5

About 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole

3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole (PubChem CID 28634815) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
PubChem CID28634815
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
SMILESCOc1cccc([C@@H]2CCCN2Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C18H23N3O/c1-22-16-5-2-4-14(10-16)18-6-3-9-21(18)12-15-11-17(20-19-15)13-7-8-13/h2,4-5,10-11,13,18H,3,6-9,12H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyAIURAZHFHJRXAS-SFHVURJKSA-N
XLogP3.63
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
CID 56912082
4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
CID 99946184
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
1-butyl-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]tetrazole
CID 51929863
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The IUPAC name of 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole (CID 28634815) is 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The canonical SMILES for 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole is COc1cccc([C@@H]2CCCN2Cc2cc(C3CC3)n[nH]2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The InChIKey is AIURAZHFHJRXAS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-16-5-2-4-14(10-16)18-6-3-9-21(18)12-15-11-17(20-19-15)13-7-8-13/h2,4-5,10-11,13,18H,3,6-9,12H2,1H3,(H,19,20)/t18-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole has a molecular weight of 297.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole is sourced from PubChem (CID 28634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).