1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole

C14H16ClN3O — CID 117230301

IUPAC1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
SMILESClc1cccc(-n2cc(OCC3CCCN3)cn2)c1
InChIInChI=1S/C14H16ClN3O/c15-11-3-1-5-13(7-11)18-9-14(8-17-18)19-10-12-4-2-6-16-12/h1,3,5,7-9,12,16H,2,4,6,10H2
InChIKeyQDGUTRSNSOXNAJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole

1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole (PubChem CID 117230301) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
PubChem CID117230301
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
SMILESClc1cccc(-n2cc(OCC3CCCN3)cn2)c1
InChIInChI=1S/C14H16ClN3O/c15-11-3-1-5-13(7-11)18-9-14(8-17-18)19-10-12-4-2-6-16-12/h1,3,5,7-9,12,16H,2,4,6,10H2
InChIKeyQDGUTRSNSOXNAJ-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole?
The IUPAC name of 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole (CID 117230301) is 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole is Clc1cccc(-n2cc(OCC3CCCN3)cn2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole?
The InChIKey is QDGUTRSNSOXNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-3-1-5-13(7-11)18-9-14(8-17-18)19-10-12-4-2-6-16-12/h1,3,5,7-9,12,16H,2,4,6,10H2.
What are the key properties of 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole?
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole has a molecular weight of 277.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole is sourced from PubChem (CID 117230301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).