4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine

C10H19N5O — CID 114987621

IUPAC4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NCCCN1CCOCC1
InChIInChI=1S/C10H19N5O/c11-10-9(8-13-14-10)12-2-1-3-15-4-6-16-7-5-15/h8,12H,1-7H2,(H3,11,13,14)
InChIKeyLDYPZAMSUIPUTH-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.13
Rot. Bonds5

About 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine

4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine (PubChem CID 114987621) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
PubChem CID114987621
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NCCCN1CCOCC1
InChIInChI=1S/C10H19N5O/c11-10-9(8-13-14-10)12-2-1-3-15-4-6-16-7-5-15/h8,12H,1-7H2,(H3,11,13,14)
InChIKeyLDYPZAMSUIPUTH-UHFFFAOYSA-N
XLogP0.13
TPSA79.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine (CID 114987621) is 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1NCCCN1CCOCC1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine?
The InChIKey is LDYPZAMSUIPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c11-10-9(8-13-14-10)12-2-1-3-15-4-6-16-7-5-15/h8,12H,1-7H2,(H3,11,13,14).
What are the key properties of 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine?
4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine has a molecular weight of 225.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114987621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).