1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride

C10H20ClN7 — CID 11971725

IUPAC1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride
SMILESCc1cc(C)n(CCC/N=C(\N)N=C(N)N)n1.Cl
InChIInChI=1S/C10H19N7.ClH/c1-7-6-8(2)17(16-7)5-3-4-14-10(13)15-9(11)12;/h6H,3-5H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyVWPCXGTWMBFNOS-UHFFFAOYSA-N
MW273.77 g/mol
LogP-0.10
Rot. Bonds4

About 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride

1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride (PubChem CID 11971725) has the molecular formula C10H20ClN7 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride
PubChem CID11971725
Molecular FormulaC10H20ClN7
Molecular Weight273.77 g/mol
Exact Mass273.15
IUPAC Name1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride
SMILESCc1cc(C)n(CCC/N=C(\N)N=C(N)N)n1.Cl
InChIInChI=1S/C10H19N7.ClH/c1-7-6-8(2)17(16-7)5-3-4-14-10(13)15-9(11)12;/h6H,3-5H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyVWPCXGTWMBFNOS-UHFFFAOYSA-N
XLogP-0.10
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111026946
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110919594
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(3-methylphenyl)guanidine
CID 111026897
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 110914283
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026934
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925838
1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine
CID 168604101
1-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine
CID 111026975
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026985
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride (CID 11971725) is 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride is Cc1cc(C)n(CCC/N=C(\N)N=C(N)N)n1.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride?
The InChIKey is VWPCXGTWMBFNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7.ClH/c1-7-6-8(2)17(16-7)5-3-4-14-10(13)15-9(11)12;/h6H,3-5H2,1-2H3,(H6,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride?
1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride is sourced from PubChem (CID 11971725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).