2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid

C9H17N7O2 — CID 176518818

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C5H6N2O2.C4H11N5/c1-3-2-4(5(8)9)7-6-3;1-9(2)4(7)8-3(5)6/h2H,1H3,(H,6,7)(H,8,9);1-2H3,(H5,5,6,7,8)
InChIKeyYBONKDJKRDTTFY-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.83
Rot. Bonds1

About 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid

2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 176518818) has the molecular formula C9H17N7O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID176518818
Molecular FormulaC9H17N7O2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C5H6N2O2.C4H11N5/c1-3-2-4(5(8)9)7-6-3;1-9(2)4(7)8-3(5)6/h2H,1H3,(H,6,7)(H,8,9);1-2H3,(H5,5,6,7,8)
InChIKeyYBONKDJKRDTTFY-UHFFFAOYSA-N
XLogP-0.83
TPSA157.47 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 13405305
2-carbamimidoyl-1,1-dimethylguanidine;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 176546025
4-imino-4-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 135692673
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547
5-methyl-1H-pyrazole-3-carbonyl bromide
CID 167084964
N,N',5-trimethyl-1H-pyrazole-3-carbohydrazide
CID 13405307
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
CID 58810628
(Z)-4-(dimethylamino)-3-(5-methyl-1H-pyrazol-3-yl)but-3-en-2-one
CID 141243311
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid (CID 176518818) is 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n[nH]1.[H]/N=C(\N)N=C(N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is YBONKDJKRDTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C4H11N5/c1-3-2-4(5(8)9)7-6-3;1-9(2)4(7)8-3(5)6/h2H,1H3,(H,6,7)(H,8,9);1-2H3,(H5,5,6,7,8).
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid?
2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of -0.83, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 176518818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).