3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol

C14H17N3O — CID 115054088

IUPAC3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(CC3CCCN3)cn2)c1
InChIInChI=1S/C14H17N3O/c18-14-5-1-4-13(8-14)17-10-11(9-16-17)7-12-3-2-6-15-12/h1,4-5,8-10,12,15,18H,2-3,6-7H2
InChIKeyLKOUXLAOHACXIP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds3

About 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol

3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol (PubChem CID 115054088) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
PubChem CID115054088
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(CC3CCCN3)cn2)c1
InChIInChI=1S/C14H17N3O/c18-14-5-1-4-13(8-14)17-10-11(9-16-17)7-12-3-2-6-15-12/h1,4-5,8-10,12,15,18H,2-3,6-7H2
InChIKeyLKOUXLAOHACXIP-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054072
1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
CID 117230301
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214
1-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510837
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
CID 117118207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol (CID 115054088) is 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol is Oc1cccc(-n2cc(CC3CCCN3)cn2)c1.
What is the InChIKey of 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol?
The InChIKey is LKOUXLAOHACXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-5-1-4-13(8-14)17-10-11(9-16-17)7-12-3-2-6-15-12/h1,4-5,8-10,12,15,18H,2-3,6-7H2.
What are the key properties of 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol?
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol has a molecular weight of 243.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 115054088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).