N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine

C13H24N4 — CID 113475087

IUPACN-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)NCC(C)C1CC1
InChIInChI=1S/C13H24N4/c1-9(11-4-5-11)7-15-13(6-14)12-8-17(3)16-10(12)2/h8-9,11,13,15H,4-7,14H2,1-3H3
InChIKeyNIGFHJOQZQOBHR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.36
Rot. Bonds6

About N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine

N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 113475087) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID113475087
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1nn(C)cc1C(CN)NCC(C)C1CC1
InChIInChI=1S/C13H24N4/c1-9(11-4-5-11)7-15-13(6-14)12-8-17(3)16-10(12)2/h8-9,11,13,15H,4-7,14H2,1-3H3
InChIKeyNIGFHJOQZQOBHR-UHFFFAOYSA-N
XLogP1.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697079
N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 83089687
1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
CID 116651324
N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
CID 114075593
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 83088760
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114843411
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
CID 83095091
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine (CID 113475087) is N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine is Cc1nn(C)cc1C(CN)NCC(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is NIGFHJOQZQOBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(11-4-5-11)7-15-13(6-14)12-8-17(3)16-10(12)2/h8-9,11,13,15H,4-7,14H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 113475087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).