3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol

C13H15N3O — CID 105486880

IUPAC3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
SMILESCn1nc(C2(N)CC2)cc1-c1cccc(O)c1
InChIInChI=1S/C13H15N3O/c1-16-11(9-3-2-4-10(17)7-9)8-12(15-16)13(14)5-6-13/h2-4,7-8,17H,5-6,14H2,1H3
InChIKeyNTUICVRNDJUEDY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.74
Rot. Bonds2

About 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol

3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol (PubChem CID 105486880) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
PubChem CID105486880
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
SMILESCn1nc(C2(N)CC2)cc1-c1cccc(O)c1
InChIInChI=1S/C13H15N3O/c1-16-11(9-3-2-4-10(17)7-9)8-12(15-16)13(14)5-6-13/h2-4,7-8,17H,5-6,14H2,1H3
InChIKeyNTUICVRNDJUEDY-UHFFFAOYSA-N
XLogP1.74
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
CID 105467000
4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol
CID 136801462
3-(1-aminocyclopropyl)phenol
CID 55296554
3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol
CID 105468684
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676422
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
CID 14868323
3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
CID 105423248

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol?
The IUPAC name of 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol (CID 105486880) is 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol?
The canonical SMILES for 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol is Cn1nc(C2(N)CC2)cc1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol?
The InChIKey is NTUICVRNDJUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-11(9-3-2-4-10(17)7-9)8-12(15-16)13(14)5-6-13/h2-4,7-8,17H,5-6,14H2,1H3.
What are the key properties of 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol?
3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol is sourced from PubChem (CID 105486880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).