N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

C14H26N4 — CID 114075593

IUPACN-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C14H26N4/c1-10(2)18-9-13(8-17-18)14(6-15)16-7-11(3)12-4-5-12/h8-12,14,16H,4-7,15H2,1-3H3
InChIKeyJESSNELHPMYOQZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.10
Rot. Bonds7

About N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine

N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 114075593) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID114075593
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C14H26N4/c1-10(2)18-9-13(8-17-18)14(6-15)16-7-11(3)12-4-5-12/h8-12,14,16H,4-7,15H2,1-3H3
InChIKeyJESSNELHPMYOQZ-UHFFFAOYSA-N
XLogP2.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 113475113
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
CID 97085962
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114843411
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
N-(2-cyclopropylpropyl)-1,4-dimethylimidazol-2-amine
CID 106580212
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114076876
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine (CID 114075593) is N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is CC(CNC(CN)c1cnn(C(C)C)c1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JESSNELHPMYOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)18-9-13(8-17-18)14(6-15)16-7-11(3)12-4-5-12/h8-12,14,16H,4-7,15H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.10, 7 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-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114075593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).