2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine

C14H19N5O — CID 95761513

IUPAC2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine
SMILESC[C@H]1C[C@H]1c1ccc(C/N=C(\N)Nc2cnn(C)c2)o1
InChIInChI=1S/C14H19N5O/c1-9-5-12(9)13-4-3-11(20-13)7-16-14(15)18-10-6-17-19(2)8-10/h3-4,6,8-9,12H,5,7H2,1-2H3,(H3,15,16,18)/t9-,12+/m0/s1
InChIKeyWFUVBGVOGCMDEI-JOYOIKCWSA-N
MW273.34 g/mol
LogP2.06
Rot. Bonds4

About 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine

2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine (PubChem CID 95761513) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine
PubChem CID95761513
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine
SMILESC[C@H]1C[C@H]1c1ccc(C/N=C(\N)Nc2cnn(C)c2)o1
InChIInChI=1S/C14H19N5O/c1-9-5-12(9)13-4-3-11(20-13)7-16-14(15)18-10-6-17-19(2)8-10/h3-4,6,8-9,12H,5,7H2,1-2H3,(H3,15,16,18)/t9-,12+/m0/s1
InChIKeyWFUVBGVOGCMDEI-JOYOIKCWSA-N
XLogP2.06
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine?
The IUPAC name of 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine (CID 95761513) is 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine.
What is the SMILES notation for 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine?
The canonical SMILES for 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine is C[C@H]1C[C@H]1c1ccc(C/N=C(\N)Nc2cnn(C)c2)o1.
What is the InChIKey of 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine?
The InChIKey is WFUVBGVOGCMDEI-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-5-12(9)13-4-3-11(20-13)7-16-14(15)18-10-6-17-19(2)8-10/h3-4,6,8-9,12H,5,7H2,1-2H3,(H3,15,16,18)/t9-,12+/m0/s1.
What are the key properties of 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine?
2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine has a molecular weight of 273.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)guanidine is sourced from PubChem (CID 95761513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).