3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine

C13H25N3 — CID 60932577

IUPAC3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(C)C
InChIInChI=1S/C13H25N3/c1-8(2)10(5)14-13-11(6)15-16(9(3)4)12(13)7/h8-10,14H,1-7H3
InChIKeyFCNSRATXZMNVGE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.54
Rot. Bonds4

About 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine

3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 60932577) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID60932577
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(C)C
InChIInChI=1S/C13H25N3/c1-8(2)10(5)14-13-11(6)15-16(9(3)4)12(13)7/h8-10,14H,1-7H3
InChIKeyFCNSRATXZMNVGE-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine (CID 60932577) is 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC(C)C(C)C.
What is the InChIKey of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is FCNSRATXZMNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-8(2)10(5)14-13-11(6)15-16(9(3)4)12(13)7/h8-10,14H,1-7H3.
What are the key properties of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine?
3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60932577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).