N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine

C14H21N5 — CID 91835881

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cncn1C1CC1
InChIInChI=1S/C14H21N5/c1-2-17(8-9-18-7-3-6-16-18)11-14-10-15-12-19(14)13-4-5-13/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3
InChIKeySGYNZWPQQYMGPS-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.94
Rot. Bonds7

About N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine (PubChem CID 91835881) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine
PubChem CID91835881
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cncn1C1CC1
InChIInChI=1S/C14H21N5/c1-2-17(8-9-18-7-3-6-16-18)11-14-10-15-12-19(14)13-4-5-13/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3
InChIKeySGYNZWPQQYMGPS-UHFFFAOYSA-N
XLogP1.94
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine (CID 91835881) is N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The InChIKey is SGYNZWPQQYMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-17(8-9-18-7-3-6-16-18)11-14-10-15-12-19(14)13-4-5-13/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 91835881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).