1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine

C12H23N5O — CID 54965110

IUPAC1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)CN2CCOCC2)c1N
InChIInChI=1S/C12H23N5O/c1-9(8-17-4-6-18-7-5-17)14-12-11(13)10(2)15-16(12)3/h9,14H,4-8,13H2,1-3H3
InChIKeyQWGUCGDHIQJYDT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.44
Rot. Bonds4

About 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine (PubChem CID 54965110) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
PubChem CID54965110
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)CN2CCOCC2)c1N
InChIInChI=1S/C12H23N5O/c1-9(8-17-4-6-18-7-5-17)14-12-11(13)10(2)15-16(12)3/h9,14H,4-8,13H2,1-3H3
InChIKeyQWGUCGDHIQJYDT-UHFFFAOYSA-N
XLogP0.44
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
CID 63758194
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619
5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
CID 104827479
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
CID 43554343
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
CID 104918892
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
4,6-dimethoxy-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 62861950
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
CID 106947816

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine (CID 54965110) is 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine is Cc1nn(C)c(NC(C)CN2CCOCC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine?
The InChIKey is QWGUCGDHIQJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(8-17-4-6-18-7-5-17)14-12-11(13)10(2)15-16(12)3/h9,14H,4-8,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine has a molecular weight of 253.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 54965110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).