3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C13H18N6O — CID 127665760

IUPAC3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3nccn3C)C2)cn1
InChIInChI=1S/C13H18N6O/c1-17-6-4-14-12(17)10-3-5-19(8-10)13(20)16-11-7-15-18(2)9-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,20)
InChIKeyNAZZMXRRSNOOIJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.17
Rot. Bonds2

About 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 127665760) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID127665760
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3nccn3C)C2)cn1
InChIInChI=1S/C13H18N6O/c1-17-6-4-14-12(17)10-3-5-19(8-10)13(20)16-11-7-15-18(2)9-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,20)
InChIKeyNAZZMXRRSNOOIJ-UHFFFAOYSA-N
XLogP1.17
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335916
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335915
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 127665760) is 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(c3nccn3C)C2)cn1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NAZZMXRRSNOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17-6-4-14-12(17)10-3-5-19(8-10)13(20)16-11-7-15-18(2)9-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,16,20).
What are the key properties of 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).