1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine

C15H25N5O — CID 120581731

IUPAC1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C15H25N5O/c1-3-20-13(6-8-18-20)14-11(7-9-21-14)10-17-15(16)19(2)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3,(H2,16,17)/t11-,14+/m0/s1
InChIKeyWXDZMLLLWBVCDI-SMDDNHRTSA-N
MW291.40 g/mol
LogP1.39
Rot. Bonds5

About 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine

1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine (PubChem CID 120581731) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine
PubChem CID120581731
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C15H25N5O/c1-3-20-13(6-8-18-20)14-11(7-9-21-14)10-17-15(16)19(2)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3,(H2,16,17)/t11-,14+/m0/s1
InChIKeyWXDZMLLLWBVCDI-SMDDNHRTSA-N
XLogP1.39
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
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 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine (CID 120581731) is 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine is CCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine?
The InChIKey is WXDZMLLLWBVCDI-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-20-13(6-8-18-20)14-11(7-9-21-14)10-17-15(16)19(2)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3,(H2,16,17)/t11-,14+/m0/s1.
What are the key properties of 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine?
1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine has a molecular weight of 291.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-methylguanidine is sourced from PubChem (CID 120581731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).