N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine

C14H25N3 — CID 79219679

IUPACN-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CCNC1CC1
InChIInChI=1S/C14H25N3/c1-10-13(8-9-15-12-6-7-12)11(2)17(16-10)14(3,4)5/h12,15H,6-9H2,1-5H3
InChIKeyBVKCSWVKGGWEAR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine

N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine (PubChem CID 79219679) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
PubChem CID79219679
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CCNC1CC1
InChIInChI=1S/C14H25N3/c1-10-13(8-9-15-12-6-7-12)11(2)17(16-10)14(3,4)5/h12,15H,6-9H2,1-5H3
InChIKeyBVKCSWVKGGWEAR-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine (CID 79219679) is N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine is Cc1nn(C(C)(C)C)c(C)c1CCNC1CC1.
What is the InChIKey of N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine?
The InChIKey is BVKCSWVKGGWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-13(8-9-15-12-6-7-12)11(2)17(16-10)14(3,4)5/h12,15H,6-9H2,1-5H3.
What are the key properties of N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine?
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 79219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).