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

C13H22N4 — CID 115291218

IUPACN'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNC(C2CC2)C2CC2)cn1
InChIInChI=1S/C13H22N4/c1-17-8-11(6-16-17)12(14)7-15-13(9-2-3-9)10-4-5-10/h6,8-10,12-13,15H,2-5,7,14H2,1H3
InChIKeyNOXKJAMQELOAKF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.20
Rot. Bonds6

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

N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291218) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291218
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNC(C2CC2)C2CC2)cn1
InChIInChI=1S/C13H22N4/c1-17-8-11(6-16-17)12(14)7-15-13(9-2-3-9)10-4-5-10/h6,8-10,12-13,15H,2-5,7,14H2,1H3
InChIKeyNOXKJAMQELOAKF-UHFFFAOYSA-N
XLogP1.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115291177
1-(1-methylpyrazol-4-yl)-N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103542647
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219202
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
CID 115291248
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
CID 105104673
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291218) is N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cn1cc(C(N)CNC(C2CC2)C2CC2)cn1.
What is the InChIKey of N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is NOXKJAMQELOAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-8-11(6-16-17)12(14)7-15-13(9-2-3-9)10-4-5-10/h6,8-10,12-13,15H,2-5,7,14H2,1H3.
What are the key properties of N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).