2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine

C18H23N5 — CID 120663100

IUPAC2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
SMILESN/C(=N\CC1CCC1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H23N5/c19-18(20-10-13-5-4-6-13)22-17-9-16(17)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-3,7-8,11-13,16-17H,4-6,9-10H2,(H3,19,20,22)/t16-,17+/m0/s1
InChIKeyUSCYVSQOHOXDCT-DLBZAZTESA-N
MW309.42 g/mol
LogP2.43
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine

2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine (PubChem CID 120663100) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
PubChem CID120663100
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
SMILESN/C(=N\CC1CCC1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H23N5/c19-18(20-10-13-5-4-6-13)22-17-9-16(17)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-3,7-8,11-13,16-17H,4-6,9-10H2,(H3,19,20,22)/t16-,17+/m0/s1
InChIKeyUSCYVSQOHOXDCT-DLBZAZTESA-N
XLogP2.43
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.43
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

5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
CID 167850947
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
2-(cyclobutylmethyl)-1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111819324
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046131
N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 138036681
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
CID 122126105
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine (CID 120663100) is 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine is N/C(=N\CC1CCC1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine?
The InChIKey is USCYVSQOHOXDCT-DLBZAZTESA-N. The full InChI is InChI=1S/C18H23N5/c19-18(20-10-13-5-4-6-13)22-17-9-16(17)14-11-21-23(12-14)15-7-2-1-3-8-15/h1-3,7-8,11-13,16-17H,4-6,9-10H2,(H3,19,20,22)/t16-,17+/m0/s1.
What are the key properties of 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine?
2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine has a molecular weight of 309.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine is sourced from PubChem (CID 120663100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).