3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol

C14H17N3O2 — CID 117230320

IUPAC3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(OCC3CCNC3)cn2)c1
InChIInChI=1S/C14H17N3O2/c18-13-3-1-2-12(6-13)17-9-14(8-16-17)19-10-11-4-5-15-7-11/h1-3,6,8-9,11,15,18H,4-5,7,10H2
InChIKeyWAROKWYNMZBBAH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.57
Rot. Bonds4

About 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol

3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol (PubChem CID 117230320) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
PubChem CID117230320
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(OCC3CCNC3)cn2)c1
InChIInChI=1S/C14H17N3O2/c18-13-3-1-2-12(6-13)17-9-14(8-16-17)19-10-11-4-5-15-7-11/h1-3,6,8-9,11,15,18H,4-5,7,10H2
InChIKeyWAROKWYNMZBBAH-UHFFFAOYSA-N
XLogP1.57
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-3-ylmethoxy)-1-(3-bromophenyl)pyrazole
CID 117230313
4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 117230309
3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol
CID 117229757
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
CID 117230301
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054072

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol (CID 117230320) is 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol is Oc1cccc(-n2cc(OCC3CCNC3)cn2)c1.
What is the InChIKey of 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol?
The InChIKey is WAROKWYNMZBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-3-1-2-12(6-13)17-9-14(8-16-17)19-10-11-4-5-15-7-11/h1-3,6,8-9,11,15,18H,4-5,7,10H2.
What are the key properties of 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol?
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol is sourced from PubChem (CID 117230320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).