3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine

C13H15N3O2 — CID 117365167

IUPAC3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(C3COCO3)cc2)cc1N
InChIInChI=1S/C13H15N3O2/c1-16-13(14)6-11(15-16)9-2-4-10(5-3-9)12-7-17-8-18-12/h2-6,12H,7-8,14H2,1H3
InChIKeyCUCDOUIVQFWUNJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

About 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine

3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117365167) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117365167
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(C3COCO3)cc2)cc1N
InChIInChI=1S/C13H15N3O2/c1-16-13(14)6-11(15-16)9-2-4-10(5-3-9)12-7-17-8-18-12/h2-6,12H,7-8,14H2,1H3
InChIKeyCUCDOUIVQFWUNJ-UHFFFAOYSA-N
XLogP1.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[4-(thietan-3-yl)phenyl]pyrazol-5-amine
CID 117365781
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
3-[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]-1-methylpyrazol-5-amine
CID 117453961
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazol-5-amine
CID 75486820
3-(4-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382468
3-(7-bromo-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117476970
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
CID 117327429
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine (CID 117365167) is 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(C3COCO3)cc2)cc1N.
What is the InChIKey of 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is CUCDOUIVQFWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-13(14)6-11(15-16)9-2-4-10(5-3-9)12-7-17-8-18-12/h2-6,12H,7-8,14H2,1H3.
What are the key properties of 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine?
3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 245.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117365167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).