N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide

C12H14N4 — CID 106218322

IUPACN'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H14N4/c1-9(11-7-14-15-8-11)16-12(13)10-5-3-2-4-6-10/h2-9H,1H3,(H2,13,16)(H,14,15)
InChIKeyZNPBLEIJVZGICL-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds3

About N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide

N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide (PubChem CID 106218322) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
PubChem CID106218322
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H14N4/c1-9(11-7-14-15-8-11)16-12(13)10-5-3-2-4-6-10/h2-9H,1H3,(H2,13,16)(H,14,15)
InChIKeyZNPBLEIJVZGICL-UHFFFAOYSA-N
XLogP1.88
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-pyrazol-4-yl)ethyl]guanidine
CID 114159092
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
CID 63177958
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
CID 90178209
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide
CID 55159588
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 76983689
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
CID 130573210

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide (CID 106218322) is N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide is CC(/N=C(\N)c1ccccc1)c1cn[nH]c1.
What is the InChIKey of N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide?
The InChIKey is ZNPBLEIJVZGICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9(11-7-14-15-8-11)16-12(13)10-5-3-2-4-6-10/h2-9H,1H3,(H2,13,16)(H,14,15).
What are the key properties of N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide?
N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide has a molecular weight of 214.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 106218322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).