3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine

C14H19N3O — CID 66028263

IUPAC3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1ccccc1C
InChIInChI=1S/C14H19N3O/c1-4-9-17-14(13(15)11(3)16-17)18-12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3
InChIKeyBWRMPFRCPXRWMN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine

3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine (PubChem CID 66028263) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine
PubChem CID66028263
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1ccccc1C
InChIInChI=1S/C14H19N3O/c1-4-9-17-14(13(15)11(3)16-17)18-12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3
InChIKeyBWRMPFRCPXRWMN-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 682833
CID 682833
CID 682832
CID 682832
CID 56601150
CID 56601150
CID 9921887
CID 9921887
CID 56601153
CID 56601153
CID 56601749
CID 56601749
CID 56602155
CID 56602155
CID 135230799
CID 135230799
CID 164607418
CID 164607418
CID 3133155
CID 3133155
CID 6457385
CID 6457385
CID 7998841
CID 7998841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine (CID 66028263) is 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1Oc1ccccc1C.
What is the InChIKey of 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine?
The InChIKey is BWRMPFRCPXRWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-9-17-14(13(15)11(3)16-17)18-12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine?
3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine is sourced from PubChem (CID 66028263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).