N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

C19H27N5O — CID 128970240

IUPACN,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H27N5O/c1-13-17(14(2)24(5)21-13)19(25)23(4)12-16-8-10-22(3)18(16)15-7-6-9-20-11-15/h6-7,9,11,16,18H,8,10,12H2,1-5H3/t16-,18-/m0/s1
InChIKeyHWBWYFUAQQBUIE-WMZOPIPTSA-N
MW341.46 g/mol
LogP2.20
Rot. Bonds4

About N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 128970240) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID128970240
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H27N5O/c1-13-17(14(2)24(5)21-13)19(25)23(4)12-16-8-10-22(3)18(16)15-7-6-9-20-11-15/h6-7,9,11,16,18H,8,10,12H2,1-5H3/t16-,18-/m0/s1
InChIKeyHWBWYFUAQQBUIE-WMZOPIPTSA-N
XLogP2.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 128996808
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 128971727
3-(2-imidazol-1-ylethyl)-1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128970799
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 128972313
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 128997533
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129335114
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1-benzofuran-3-carboxamide
CID 128972513
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997680
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 128996545

Frequently Asked Questions

What is the IUPAC name of N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 128970240) is N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is HWBWYFUAQQBUIE-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-17(14(2)24(5)21-13)19(25)23(4)12-16-8-10-22(3)18(16)15-7-6-9-20-11-15/h6-7,9,11,16,18H,8,10,12H2,1-5H3/t16-,18-/m0/s1.
What are the key properties of N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 128970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).