N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine

C12H24N4 — CID 61462605

IUPACN',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)Cn1cccn1
InChIInChI=1S/C12H24N4/c1-4-15(5-2)10-8-13-12(3)11-16-9-6-7-14-16/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3
InChIKeyRGURZQVCVSGTDQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.20
Rot. Bonds8

About N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 61462605) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID61462605
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)Cn1cccn1
InChIInChI=1S/C12H24N4/c1-4-15(5-2)10-8-13-12(3)11-16-9-6-7-14-16/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3
InChIKeyRGURZQVCVSGTDQ-UHFFFAOYSA-N
XLogP1.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
(E)-4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)but-2-en-1-amine
CID 81429664

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine (CID 61462605) is N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine is CCN(CC)CCNC(C)Cn1cccn1.
What is the InChIKey of N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is RGURZQVCVSGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-15(5-2)10-8-13-12(3)11-16-9-6-7-14-16/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 61462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).