1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine

C15H20N4 — CID 115291248

IUPAC1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNC2CC2c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-19-10-12(8-18-19)14(16)9-17-15-7-13(15)11-5-3-2-4-6-11/h2-6,8,10,13-15,17H,7,9,16H2,1H3
InChIKeyTYLCKRFRYDQACL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.57
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine

1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine (PubChem CID 115291248) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
PubChem CID115291248
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNC2CC2c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-19-10-12(8-18-19)14(16)9-17-15-7-13(15)11-5-3-2-4-6-11/h2-6,8,10,13-15,17H,7,9,16H2,1H3
InChIKeyTYLCKRFRYDQACL-UHFFFAOYSA-N
XLogP1.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 55113752
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218
[2-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105291195
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
1-(1-methylpyrazol-4-yl)-N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103542647
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine (CID 115291248) is 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine is Cn1cc(C(N)CNC2CC2c2ccccc2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine?
The InChIKey is TYLCKRFRYDQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-10-12(8-18-19)14(16)9-17-15-7-13(15)11-5-3-2-4-6-11/h2-6,8,10,13-15,17H,7,9,16H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine?
1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine is sourced from PubChem (CID 115291248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).