1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine

C20H27N5 — CID 119119704

IUPAC1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine
SMILESN/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCC1
InChIInChI=1S/C20H27N5/c21-20(23-15-8-3-1-4-9-15)22-14-18-17-12-7-13-19(17)25(24-18)16-10-5-2-6-11-16/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2,(H3,21,22,23)
InChIKeyYJRDCBFTFYBNDX-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine

1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine (PubChem CID 119119704) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine
PubChem CID119119704
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine
SMILESN/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCC1
InChIInChI=1S/C20H27N5/c21-20(23-15-8-3-1-4-9-15)22-14-18-17-12-7-13-19(17)25(24-18)16-10-5-2-6-11-16/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2,(H3,21,22,23)
InChIKeyYJRDCBFTFYBNDX-UHFFFAOYSA-N
XLogP3.10
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
CID 119119713
1-(cyclobutylmethyl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
CID 119119707
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine;hydroiodide
CID 119140875
1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
(2S)-N-cyclopropyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 51727331
1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
CID 47086560
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119297684
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
1-cycloheptyl-2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 167864379
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine (CID 119119704) is 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine is N/C(=N\Cc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine?
The InChIKey is YJRDCBFTFYBNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c21-20(23-15-8-3-1-4-9-15)22-14-18-17-12-7-13-19(17)25(24-18)16-10-5-2-6-11-16/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2,(H3,21,22,23).
What are the key properties of 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine?
1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine has a molecular weight of 337.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 119119704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).