3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide

C9H17N5O — CID 63583505

IUPAC3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
SMILESCN(CCC(=O)NN)Cc1cnn(C)c1
InChIInChI=1S/C9H17N5O/c1-13(4-3-9(15)12-10)6-8-5-11-14(2)7-8/h5,7H,3-4,6,10H2,1-2H3,(H,12,15)
InChIKeyBNVHKWNWXBVCKN-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.77
Rot. Bonds5

About 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide

3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide (PubChem CID 63583505) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
PubChem CID63583505
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
SMILESCN(CCC(=O)NN)Cc1cnn(C)c1
InChIInChI=1S/C9H17N5O/c1-13(4-3-9(15)12-10)6-8-5-11-14(2)7-8/h5,7H,3-4,6,10H2,1-2H3,(H,12,15)
InChIKeyBNVHKWNWXBVCKN-UHFFFAOYSA-N
XLogP-0.77
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
CID 103484374
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
CID 102774650
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide?
The IUPAC name of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide (CID 63583505) is 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide.
What is the SMILES notation for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide?
The canonical SMILES for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide is CN(CCC(=O)NN)Cc1cnn(C)c1.
What is the InChIKey of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide?
The InChIKey is BNVHKWNWXBVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-13(4-3-9(15)12-10)6-8-5-11-14(2)7-8/h5,7H,3-4,6,10H2,1-2H3,(H,12,15).
What are the key properties of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide?
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide has a molecular weight of 211.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide is sourced from PubChem (CID 63583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).