1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine

C13H19ClN6 — CID 122096792

IUPAC1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCc1cnc2c(Cl)cnn2c1
InChIInChI=1S/C13H19ClN6/c1-9(2)5-18-13(15)16-4-3-10-6-17-12-11(14)7-19-20(12)8-10/h6-9H,3-5H2,1-2H3,(H3,15,16,18)
InChIKeyCOGNTFUOCUECKT-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 122096792) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID122096792
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCc1cnc2c(Cl)cnn2c1
InChIInChI=1S/C13H19ClN6/c1-9(2)5-18-13(15)16-4-3-10-6-17-12-11(14)7-19-20(12)8-10/h6-9H,3-5H2,1-2H3,(H3,15,16,18)
InChIKeyCOGNTFUOCUECKT-UHFFFAOYSA-N
XLogP1.49
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.49
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

2-(2-methylpropyl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039957
2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
CID 62363089
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propanamide
CID 154786065
(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166428266
1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122015826
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-cyclopentylazetidine-1-carboxamide
CID 138019255
1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111094459
1-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 166195081
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 122096792) is 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCc1cnc2c(Cl)cnn2c1.
What is the InChIKey of 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is COGNTFUOCUECKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-9(2)5-18-13(15)16-4-3-10-6-17-12-11(14)7-19-20(12)8-10/h6-9H,3-5H2,1-2H3,(H3,15,16,18).
What are the key properties of 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 294.79 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 122096792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).