N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C18H26N4O — CID 121342363

IUPACN'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H26N4O/c1-19-9-10-22(2)12-16-11-20-21-18(16)15-5-7-17(8-6-15)23-13-14-3-4-14/h5-8,11,14,19H,3-4,9-10,12-13H2,1-2H3,(H,20,21)
InChIKeySXAVSCPEHXLGQZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.52
Rot. Bonds9

About N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 121342363) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID121342363
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H26N4O/c1-19-9-10-22(2)12-16-11-20-21-18(16)15-5-7-17(8-6-15)23-13-14-3-4-14/h5-8,11,14,19H,3-4,9-10,12-13H2,1-2H3,(H,20,21)
InChIKeySXAVSCPEHXLGQZ-UHFFFAOYSA-N
XLogP2.52
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 121342363) is N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1-c1ccc(OCC2CC2)cc1.
What is the InChIKey of N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SXAVSCPEHXLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-19-9-10-22(2)12-16-11-20-21-18(16)15-5-7-17(8-6-15)23-13-14-3-4-14/h5-8,11,14,19H,3-4,9-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121342363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).