3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol

C12H13N3O — CID 105468684

IUPAC3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol
SMILESNC1(c2cn[nH]c2-c2cccc(O)c2)CC1
InChIInChI=1S/C12H13N3O/c13-12(4-5-12)10-7-14-15-11(10)8-2-1-3-9(16)6-8/h1-3,6-7,16H,4-5,13H2,(H,14,15)
InChIKeyNANKAHGILQTVSZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds2

About 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol

3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol (PubChem CID 105468684) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol
PubChem CID105468684
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol
SMILESNC1(c2cn[nH]c2-c2cccc(O)c2)CC1
InChIInChI=1S/C12H13N3O/c13-12(4-5-12)10-7-14-15-11(10)8-2-1-3-9(16)6-8/h1-3,6-7,16H,4-5,13H2,(H,14,15)
InChIKeyNANKAHGILQTVSZ-UHFFFAOYSA-N
XLogP1.73
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305743
3-(1-aminocyclopropyl)phenol
CID 55296554
4-amino-3-(1-aminocyclopropyl)phenol
CID 115012955
3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
CID 105486880
3-(1H-indazol-4-yl)phenol
CID 83445848
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573
3-(1-aminocyclobutyl)phenol
CID 82596466
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
octalen-2-ol
CID 174999308
4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127525
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol (CID 105468684) is 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol is NC1(c2cn[nH]c2-c2cccc(O)c2)CC1.
What is the InChIKey of 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is NANKAHGILQTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(4-5-12)10-7-14-15-11(10)8-2-1-3-9(16)6-8/h1-3,6-7,16H,4-5,13H2,(H,14,15).
What are the key properties of 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol?
3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 105468684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).