5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine

C13H17N3O — CID 82082161

IUPAC5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCC(C)c1ccc(OCc2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-9(2)10-3-5-12(6-4-10)17-8-11-7-13(14)16-15-11/h3-7,9H,8H2,1-2H3,(H3,14,15,16)
InChIKeyDRJOHHAYPGLAIG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds4

About 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine

5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine (PubChem CID 82082161) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
PubChem CID82082161
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCC(C)c1ccc(OCc2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-9(2)10-3-5-12(6-4-10)17-8-11-7-13(14)16-15-11/h3-7,9H,8H2,1-2H3,(H3,14,15,16)
InChIKeyDRJOHHAYPGLAIG-UHFFFAOYSA-N
XLogP2.69
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82083976
2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
CID 82168504
5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
3-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54851930
5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722
[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol
CID 54850645
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine (CID 82082161) is 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine is CC(C)c1ccc(OCc2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine?
The InChIKey is DRJOHHAYPGLAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)10-3-5-12(6-4-10)17-8-11-7-13(14)16-15-11/h3-7,9H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine?
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82082161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).