4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol

C13H17N3O — CID 61237634

IUPAC4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(13-7-9-15-16-13)14-8-6-11-2-4-12(17)5-3-11/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,15,16)
InChIKeyNMNNAGYAHRBQJN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds5

About 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol

4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol (PubChem CID 61237634) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
PubChem CID61237634
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(13-7-9-15-16-13)14-8-6-11-2-4-12(17)5-3-11/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,15,16)
InChIKeyNMNNAGYAHRBQJN-UHFFFAOYSA-N
XLogP2.01
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60971301
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106413333
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 63247743
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402
N-propyl-2-[1-(1H-pyrazol-5-yl)ethylamino]acetamide
CID 60973020

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol (CID 61237634) is 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol is CC(NCCc1ccc(O)cc1)c1ccn[nH]1.
What is the InChIKey of 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol?
The InChIKey is NMNNAGYAHRBQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(13-7-9-15-16-13)14-8-6-11-2-4-12(17)5-3-11/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,15,16).
What are the key properties of 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol?
4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 61237634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).