N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine

C13H23N3 — CID 115704638

IUPACN-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C(C)C)c(C)c1C(C)NC1CC1
InChIInChI=1S/C13H23N3/c1-8(2)16-11(5)13(10(4)15-16)9(3)14-12-6-7-12/h8-9,12,14H,6-7H2,1-5H3
InChIKeyJGWOLILDBYUUCC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine

N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine (PubChem CID 115704638) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine
PubChem CID115704638
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine
SMILESCc1nn(C(C)C)c(C)c1C(C)NC1CC1
InChIInChI=1S/C13H23N3/c1-8(2)16-11(5)13(10(4)15-16)9(3)14-12-6-7-12/h8-9,12,14H,6-7H2,1-5H3
InChIKeyJGWOLILDBYUUCC-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine (CID 115704638) is N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine is Cc1nn(C(C)C)c(C)c1C(C)NC1CC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine?
The InChIKey is JGWOLILDBYUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-8(2)16-11(5)13(10(4)15-16)9(3)14-12-6-7-12/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine?
N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 115704638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).