1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

C7H13N5O — CID 103011559

IUPAC1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESCn1nccc1CC/N=C(\N)NO
InChIInChI=1S/C7H13N5O/c1-12-6(3-5-10-12)2-4-9-7(8)11-13/h3,5,13H,2,4H2,1H3,(H3,8,9,11)
InChIKeyNPWPNTPXMRCUNA-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.74
Rot. Bonds3

About 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (PubChem CID 103011559) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
PubChem CID103011559
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESCn1nccc1CC/N=C(\N)NO
InChIInChI=1S/C7H13N5O/c1-12-6(3-5-10-12)2-4-9-7(8)11-13/h3,5,13H,2,4H2,1H3,(H3,8,9,11)
InChIKeyNPWPNTPXMRCUNA-UHFFFAOYSA-N
XLogP-0.74
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diethylphenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110050296
N'-[2-(2-methylpyrazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110050271
1-(4-methylphenyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111064745
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
1-[(2S)-1-methoxypropan-2-yl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 129374903
N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
CID 103007308
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
CID 130987883
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (CID 103011559) is 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is Cn1nccc1CC/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The InChIKey is NPWPNTPXMRCUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-6(3-5-10-12)2-4-9-7(8)11-13/h3,5,13H,2,4H2,1H3,(H3,8,9,11).
What are the key properties of 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine has a molecular weight of 183.22 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 103011559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).