5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

C14H19N3O — CID 117365767

IUPAC5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(N)n[nH]2)c(OC(C)C)c1C
InChIInChI=1S/C14H19N3O/c1-8(2)18-14-10(4)9(3)5-6-11(14)12-7-13(15)17-16-12/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyPPBFFZRIPGAVNC-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.06
Rot. Bonds3

About 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117365767) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
PubChem CID117365767
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(N)n[nH]2)c(OC(C)C)c1C
InChIInChI=1S/C14H19N3O/c1-8(2)18-14-10(4)9(3)5-6-11(14)12-7-13(15)17-16-12/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyPPBFFZRIPGAVNC-UHFFFAOYSA-N
XLogP3.06
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (CID 117365767) is 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2cc(N)n[nH]2)c(OC(C)C)c1C.
What is the InChIKey of 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is PPBFFZRIPGAVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8(2)18-14-10(4)9(3)5-6-11(14)12-7-13(15)17-16-12/h5-8H,1-4H3,(H3,15,16,17).
What are the key properties of 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117365767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).