N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide

C14H20N6 — CID 170756515

IUPACN,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILESCC(C)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1
InChIInChI=1S/C14H20N6/c1-10(2)13-7-17-20(9-13)8-11-3-5-12(6-4-11)14(18-15)19-16/h3-7,9-10H,8,15-16H2,1-2H3,(H,18,19)
InChIKeyHAJIMDSIXIXKHQ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.14
Rot. Bonds4

About N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide

N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide (PubChem CID 170756515) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
PubChem CID170756515
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
SMILESCC(C)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1
InChIInChI=1S/C14H20N6/c1-10(2)13-7-17-20(9-13)8-11-3-5-12(6-4-11)14(18-15)19-16/h3-7,9-10H,8,15-16H2,1-2H3,(H,18,19)
InChIKeyHAJIMDSIXIXKHQ-UHFFFAOYSA-N
XLogP1.14
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 170755771
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
dimethyl-oxo-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]imino-λ6-sulfane
CID 167915093
2-fluoro-5-[(4-propan-2-ylpyrazol-1-yl)methyl]benzonitrile
CID 168900803
4-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909727
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide
CID 170756457
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide (CID 170756515) is N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide is CC(C)c1cnn(Cc2ccc(/C(=N/N)NN)cc2)c1.
What is the InChIKey of N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide?
The InChIKey is HAJIMDSIXIXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10(2)13-7-17-20(9-13)8-11-3-5-12(6-4-11)14(18-15)19-16/h3-7,9-10H,8,15-16H2,1-2H3,(H,18,19).
What are the key properties of N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide?
N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide has a molecular weight of 272.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 170756515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).