N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine

C11H22N4 — CID 19621010

IUPACN'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCn1ncc(CNCCCN)c1C
InChIInChI=1S/C11H22N4/c1-3-7-15-10(2)11(9-14-15)8-13-6-4-5-12/h9,13H,3-8,12H2,1-2H3
InChIKeyDYHFPSTUTACASZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds7

About N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine

N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 19621010) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID19621010
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCn1ncc(CNCCCN)c1C
InChIInChI=1S/C11H22N4/c1-3-7-15-10(2)11(9-14-15)8-13-6-4-5-12/h9,13H,3-8,12H2,1-2H3
InChIKeyDYHFPSTUTACASZ-UHFFFAOYSA-N
XLogP1.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86039125
N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 107010372
N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 63266059
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
CID 104670250
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 19621010) is N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine is CCCn1ncc(CNCCCN)c1C.
What is the InChIKey of N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is DYHFPSTUTACASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-7-15-10(2)11(9-14-15)8-13-6-4-5-12/h9,13H,3-8,12H2,1-2H3.
What are the key properties of N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 19621010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).