1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

C15H26N6 — CID 119158419

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
SMILESC/N=C(\NCCn1cc(C)cn1)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H26N6/c1-12-9-18-21(10-12)8-6-17-15(16-2)19-13-5-7-20(11-13)14-3-4-14/h9-10,13-14H,3-8,11H2,1-2H3,(H2,16,17,19)
InChIKeyAJACAVIAEWGBII-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.59
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (PubChem CID 119158419) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
PubChem CID119158419
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
SMILESC/N=C(\NCCn1cc(C)cn1)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H26N6/c1-12-9-18-21(10-12)8-6-17-15(16-2)19-13-5-7-20(11-13)14-3-4-14/h9-10,13-14H,3-8,11H2,1-2H3,(H2,16,17,19)
InChIKeyAJACAVIAEWGBII-UHFFFAOYSA-N
XLogP0.59
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.59
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

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 119150073
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111925097
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119159760
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111920743
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 119150579
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111388182
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111918268

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine (CID 119158419) is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is C/N=C(\NCCn1cc(C)cn1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
The InChIKey is AJACAVIAEWGBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-12-9-18-21(10-12)8-6-17-15(16-2)19-13-5-7-20(11-13)14-3-4-14/h9-10,13-14H,3-8,11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119158419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).