N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine

C12H21N3 — CID 81020228

IUPACN-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
SMILESCCn1nccc1C(C)CCNC1CC1
InChIInChI=1S/C12H21N3/c1-3-15-12(7-9-14-15)10(2)6-8-13-11-4-5-11/h7,9-11,13H,3-6,8H2,1-2H3
InChIKeyDYDJOESMSGNLJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine

N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine (PubChem CID 81020228) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
PubChem CID81020228
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
SMILESCCn1nccc1C(C)CCNC1CC1
InChIInChI=1S/C12H21N3/c1-3-15-12(7-9-14-15)10(2)6-8-13-11-4-5-11/h7,9-11,13H,3-6,8H2,1-2H3
InChIKeyDYDJOESMSGNLJX-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine (CID 81020228) is N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine is CCn1nccc1C(C)CCNC1CC1.
What is the InChIKey of N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine?
The InChIKey is DYDJOESMSGNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-12(7-9-14-15)10(2)6-8-13-11-4-5-11/h7,9-11,13H,3-6,8H2,1-2H3.
What are the key properties of N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine?
N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81020228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).