1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine

C12H15N5 — CID 114159092

IUPAC1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H15N5/c1-9(10-7-14-15-8-10)16-12(13)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15)(H3,13,16,17)
InChIKeyBMKTYSKGHUQCAD-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.90
Rot. Bonds3

About 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine

1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine (PubChem CID 114159092) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
PubChem CID114159092
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H15N5/c1-9(10-7-14-15-8-10)16-12(13)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15)(H3,13,16,17)
InChIKeyBMKTYSKGHUQCAD-UHFFFAOYSA-N
XLogP1.90
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
CID 90178209
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 119147362

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine (CID 114159092) is 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine is CC(/N=C(\N)Nc1ccccc1)c1cn[nH]c1.
What is the InChIKey of 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine?
The InChIKey is BMKTYSKGHUQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9(10-7-14-15-8-10)16-12(13)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15)(H3,13,16,17).
What are the key properties of 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine?
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine has a molecular weight of 229.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 114159092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).