1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

C19H27ClN6 — CID 109463634

IUPAC1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnn(C)c1)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H27ClN6/c1-3-21-19(22-9-7-15-12-23-25(2)13-15)24-17-8-10-26(14-17)18-6-4-5-16(20)11-18/h4-6,11-13,17H,3,7-10,14H2,1-2H3,(H2,21,22,24)
InChIKeyHXSNHAVWKMUMCV-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.45
Rot. Bonds6

About 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (PubChem CID 109463634) has the molecular formula C19H27ClN6 and a molecular weight of 374.92 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
PubChem CID109463634
Molecular FormulaC19H27ClN6
Molecular Weight374.92 g/mol
Exact Mass374.20
IUPAC Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnn(C)c1)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H27ClN6/c1-3-21-19(22-9-7-15-12-23-25(2)13-15)24-17-8-10-26(14-17)18-6-4-5-16(20)11-18/h4-6,11-13,17H,3,7-10,14H2,1-2H3,(H2,21,22,24)
InChIKeyHXSNHAVWKMUMCV-UHFFFAOYSA-N
XLogP2.45
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.45
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-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 109463461
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 109463252
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(6-chloro-3-pyridinyl)methyl]-3-ethylguanidine
CID 109463420
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 109463818
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 109463637
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 109463649
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111924654
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 109463427
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 109463809
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
3-[[[[1-(3-chlorophenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109462761
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 109463642

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (CID 109463634) is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is CCN/C(=N\CCc1cnn(C)c1)NC1CCN(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is HXSNHAVWKMUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6/c1-3-21-19(22-9-7-15-12-23-25(2)13-15)24-17-8-10-26(14-17)18-6-4-5-16(20)11-18/h4-6,11-13,17H,3,7-10,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 374.92 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 109463634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).