5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C15H22N6O — CID 118740154

IUPAC5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2cn(C)nc2C)C1
InChIInChI=1S/C15H22N6O/c1-10-12(7-20(3)19-10)9-21-5-4-11(8-21)14-13(6-17-18-14)15(22)16-2/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyITEGRZYCSBJRRV-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.80
Rot. Bonds4

About 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118740154) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID118740154
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2cn(C)nc2C)C1
InChIInChI=1S/C15H22N6O/c1-10-12(7-20(3)19-10)9-21-5-4-11(8-21)14-13(6-17-18-14)15(22)16-2/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyITEGRZYCSBJRRV-UHFFFAOYSA-N
XLogP0.80
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

US10022354, Example 58
CID 132070185
US10022354, Example 165
CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 112
CID 132070192
US10022354, Example 162
CID 132070202
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50962184
5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 50977929
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
(5-ethyl-1H-pyrazol-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609390
(5-ethyl-1H-pyrazol-4-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53615061
N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 72882292

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 118740154) is 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCN(Cc2cn(C)nc2C)C1.
What is the InChIKey of 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ITEGRZYCSBJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-12(7-20(3)19-10)9-21-5-4-11(8-21)14-13(6-17-18-14)15(22)16-2/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,22)(H,17,18).
What are the key properties of 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118740154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).