N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C16H25N7 — CID 119143930

IUPACN'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25N7/c1-13-18-5-8-22(13)9-6-19-16(17-2)23-7-4-14(12-23)15-10-20-21(3)11-15/h5,8,10-11,14H,4,6-7,9,12H2,1-3H3,(H,17,19)
InChIKeyRNPGFJFHKUAGKL-UHFFFAOYSA-N
MW315.43 g/mol
LogP0.99
Rot. Bonds4

About N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 119143930) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID119143930
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC NameN'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25N7/c1-13-18-5-8-22(13)9-6-19-16(17-2)23-7-4-14(12-23)15-10-20-21(3)11-15/h5,8,10-11,14H,4,6-7,9,12H2,1-3H3,(H,17,19)
InChIKeyRNPGFJFHKUAGKL-UHFFFAOYSA-N
XLogP0.99
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-cyclopentylethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143744
N'-methyl-3-(1-methylpyrazol-4-yl)-N-pentylpyrrolidine-1-carboximidamide
CID 111743381
N-(2-methoxyethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742275
N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741529
N-[3-(dimethylamino)propyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743032
N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741528
N-cyclopropyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740907
N-hexyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740555
N'-methyl-3-(1-methylpyrazol-4-yl)-N-nonylpyrrolidine-1-carboximidamide;hydroiodide
CID 111742988
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743082
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143804
N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741312

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 119143930) is N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(\NCCn1ccnc1C)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is RNPGFJFHKUAGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-13-18-5-8-22(13)9-6-19-16(17-2)23-7-4-14(12-23)15-10-20-21(3)11-15/h5,8,10-11,14H,4,6-7,9,12H2,1-3H3,(H,17,19).
What are the key properties of N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 315.43 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119143930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).