N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide

C12H21N5 — CID 102802248

IUPACN-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)cc1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H21N5/c1-9-11(8-17(2)16-9)12(15-13)14-10-6-4-3-5-7-10/h8,10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMLCYHTJJZGYUSD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.27
Rot. Bonds2

About N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide

N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 102802248) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID102802248
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)cc1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H21N5/c1-9-11(8-17(2)16-9)12(15-13)14-10-6-4-3-5-7-10/h8,10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMLCYHTJJZGYUSD-UHFFFAOYSA-N
XLogP1.27
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
CID 61362756
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
CID 102805925
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802127
3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885302
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510
N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
CID 61360915
N-amino-N'-cyclopropyl-2-ethyl-5-methylpyrazole-3-carboximidamide
CID 66122637
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide (CID 102802248) is N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)cc1/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is MLCYHTJJZGYUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-11(8-17(2)16-9)12(15-13)14-10-6-4-3-5-7-10/h8,10H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide?
N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 102802248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).