2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

C20H31N5O — CID 110051888

IUPAC2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESCn1nccc1CCN/C(=N/CC1CCCCC1)NCCc1ccco1
InChIInChI=1S/C20H31N5O/c1-25-18(10-14-24-25)9-12-21-20(22-13-11-19-8-5-15-26-19)23-16-17-6-3-2-4-7-17/h5,8,10,14-15,17H,2-4,6-7,9,11-13,16H2,1H3,(H2,21,22,23)
InChIKeyCGDFGHWWXKAXJV-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.91
Rot. Bonds8

About 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (PubChem CID 110051888) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
PubChem CID110051888
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESCn1nccc1CCN/C(=N/CC1CCCCC1)NCCc1ccco1
InChIInChI=1S/C20H31N5O/c1-25-18(10-14-24-25)9-12-21-20(22-13-11-19-8-5-15-26-19)23-16-17-6-3-2-4-7-17/h5,8,10,14-15,17H,2-4,6-7,9,11-13,16H2,1H3,(H2,21,22,23)
InChIKeyCGDFGHWWXKAXJV-UHFFFAOYSA-N
XLogP2.91
TPSA67.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110050768
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 110052184
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111354805
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110051127
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 111160573
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111355238
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111751432
1-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111751431
2-[2-(furan-2-yl)ethyl]-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136701246
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111860996
1-[2-(furan-2-yl)ethyl]-3-(2-methylprop-2-enyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111354808

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (CID 110051888) is 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is Cn1nccc1CCN/C(=N/CC1CCCCC1)NCCc1ccco1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The InChIKey is CGDFGHWWXKAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-25-18(10-14-24-25)9-12-21-20(22-13-11-19-8-5-15-26-19)23-16-17-6-3-2-4-7-17/h5,8,10,14-15,17H,2-4,6-7,9,11-13,16H2,1H3,(H2,21,22,23).
What are the key properties of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine has a molecular weight of 357.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 110051888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).