1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C19H35IN6 — CID 75494809

IUPAC1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCN(CC2CC2)C1.I
InChIInChI=1S/C19H34N6.HI/c1-5-20-19(21-10-8-18-14(2)23-24(4)15(18)3)22-17-9-11-25(13-17)12-16-6-7-16;/h16-17H,5-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyUUVTWXORIRZFLO-UHFFFAOYSA-N
MW474.44 g/mol
LogP2.24
Rot. Bonds7

About 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 75494809) has the molecular formula C19H35IN6 and a molecular weight of 474.44 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID75494809
Molecular FormulaC19H35IN6
Molecular Weight474.44 g/mol
Exact Mass474.20
IUPAC Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCN(CC2CC2)C1.I
InChIInChI=1S/C19H34N6.HI/c1-5-20-19(21-10-8-18-14(2)23-24(4)15(18)3)22-17-9-11-25(13-17)12-16-6-7-16;/h16-17H,5-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyUUVTWXORIRZFLO-UHFFFAOYSA-N
XLogP2.24
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 52.24
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111255887
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109406099
1-ethyl-3-prop-2-ynyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 136922118
(3R)-1-(cyclopentylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337709
N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
CID 111210419
2-methyl-1-(1-propylpiperidin-4-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111019371
N-[2-[[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111995744
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405358
1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111953176
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1,3-diethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111465939
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 75494809) is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCN(CC2CC2)C1.I.
What is the InChIKey of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is UUVTWXORIRZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6.HI/c1-5-20-19(21-10-8-18-14(2)23-24(4)15(18)3)22-17-9-11-25(13-17)12-16-6-7-16;/h16-17H,5-13H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 474.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 75494809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).