1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C12H22IN5 — CID 110988940

IUPAC1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cnn(C)c1)NC1CC1.I
InChIInChI=1S/C12H21N5.HI/c1-3-13-12(16-11-4-5-11)14-7-6-10-8-15-17(2)9-10;/h8-9,11H,3-7H2,1-2H3,(H2,13,14,16);1H
InChIKeyBTAUCXVRLZZUHT-UHFFFAOYSA-N
MW363.25 g/mol
LogP1.30
Rot. Bonds5

About 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 110988940) has the molecular formula C12H22IN5 and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID110988940
Molecular FormulaC12H22IN5
Molecular Weight363.25 g/mol
Exact Mass363.09
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cnn(C)c1)NC1CC1.I
InChIInChI=1S/C12H21N5.HI/c1-3-13-12(16-11-4-5-11)14-7-6-10-8-15-17(2)9-10;/h8-9,11H,3-7H2,1-2H3,(H2,13,14,16);1H
InChIKeyBTAUCXVRLZZUHT-UHFFFAOYSA-N
XLogP1.30
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 51.30
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75512627
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125439
1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 110989999
1,3-diethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 86777200
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 109463634
1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 110959175
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212980
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111924654
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111979160
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine
CID 111212981

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 110988940) is 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1cnn(C)c1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is BTAUCXVRLZZUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.HI/c1-3-13-12(16-11-4-5-11)14-7-6-10-8-15-17(2)9-10;/h8-9,11H,3-7H2,1-2H3,(H2,13,14,16);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 363.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110988940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).