1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine

C9H17N5 — CID 131114979

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cc(C)nn1C
InChIInChI=1S/C9H17N5/c1-7-5-8(14(4)13-7)6-12-9(10-2)11-3/h5H,6H2,1-4H3,(H2,10,11,12)
InChIKeyHQXFSJCBDOJTSK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.02
Rot. Bonds2

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine

1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine (PubChem CID 131114979) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
PubChem CID131114979
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cc(C)nn1C
InChIInChI=1S/C9H17N5/c1-7-5-8(14(4)13-7)6-12-9(10-2)11-3/h5H,6H2,1-4H3,(H2,10,11,12)
InChIKeyHQXFSJCBDOJTSK-UHFFFAOYSA-N
XLogP0.02
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea
CID 19326874
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 74241443
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19294300
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19292744

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine (CID 131114979) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is HQXFSJCBDOJTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-5-8(14(4)13-7)6-12-9(10-2)11-3/h5H,6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 195.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 131114979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).