5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine

C16H21N3O — CID 117431564

IUPAC5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(C)c(OCC2CCC2)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-10-6-11(2)16(20-9-12-4-3-5-12)13(7-10)14-8-15(17)19-18-14/h6-8,12H,3-5,9H2,1-2H3,(H3,17,18,19)
InChIKeyOPZHIWDVEYWILB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.45
Rot. Bonds4

About 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine

5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine (PubChem CID 117431564) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
PubChem CID117431564
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(C)c(OCC2CCC2)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-10-6-11(2)16(20-9-12-4-3-5-12)13(7-10)14-8-15(17)19-18-14/h6-8,12H,3-5,9H2,1-2H3,(H3,17,18,19)
InChIKeyOPZHIWDVEYWILB-UHFFFAOYSA-N
XLogP3.45
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
CID 117464161
N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 116827337
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 117433886
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine (CID 117431564) is 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine is Cc1cc(C)c(OCC2CCC2)c(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine?
The InChIKey is OPZHIWDVEYWILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-6-11(2)16(20-9-12-4-3-5-12)13(7-10)14-8-15(17)19-18-14/h6-8,12H,3-5,9H2,1-2H3,(H3,17,18,19).
What are the key properties of 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine?
5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine has a molecular weight of 271.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).