1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine

C13H24N4 — CID 116651324

IUPAC1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCc1nn(C)cc1C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C13H24N4/c1-9-12(8-16(3)15-9)10(2)17(4)13(7-14)11-5-6-11/h8,10-11,13H,5-7,14H2,1-4H3
InChIKeyPBPQCMGNNLKMKO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds5

About 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 116651324) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
PubChem CID116651324
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCc1nn(C)cc1C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C13H24N4/c1-9-12(8-16(3)15-9)10(2)17(4)13(7-14)11-5-6-11/h8,10-11,13H,5-7,14H2,1-4H3
InChIKeyPBPQCMGNNLKMKO-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
CID 116651261
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 83089582
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79707420
2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 83088760
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 116651463
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 83088578

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine (CID 116651324) is 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine is Cc1nn(C)cc1C(C)N(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is PBPQCMGNNLKMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9-12(8-16(3)15-9)10(2)17(4)13(7-14)11-5-6-11/h8,10-11,13H,5-7,14H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).