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

C15H25N3 — CID 54866491

IUPACN-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C1CC1)C1CC1
InChIInChI=1S/C15H25N3/c1-9(2)18-11(4)14(10(3)17-18)16-15(12-5-6-12)13-7-8-13/h9,12-13,15-16H,5-8H2,1-4H3
InChIKeyFDPRFFZJBYGIDD-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.68
Rot. Bonds5

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

N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 54866491) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID54866491
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C1CC1)C1CC1
InChIInChI=1S/C15H25N3/c1-9(2)18-11(4)14(10(3)17-18)16-15(12-5-6-12)13-7-8-13/h9,12-13,15-16H,5-8H2,1-4H3
InChIKeyFDPRFFZJBYGIDD-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 54866491) is N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is FDPRFFZJBYGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-9(2)18-11(4)14(10(3)17-18)16-15(12-5-6-12)13-7-8-13/h9,12-13,15-16H,5-8H2,1-4H3.
What are the key properties of N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 54866491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).