N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide

C18H27N5O — CID 136587890

IUPACN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1cc(-c2cccnc2)nn1C
InChIInChI=1S/C18H27N5O/c1-13(2)9-15(12-22(3)4)20-18(24)17-10-16(21-23(17)5)14-7-6-8-19-11-14/h6-8,10-11,13,15H,9,12H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyUUDOHTBJNDCQKG-HNNXBMFYSA-N
MW329.45 g/mol
LogP2.19
Rot. Bonds7

About N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide

N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide (PubChem CID 136587890) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide
PubChem CID136587890
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1cc(-c2cccnc2)nn1C
InChIInChI=1S/C18H27N5O/c1-13(2)9-15(12-22(3)4)20-18(24)17-10-16(21-23(17)5)14-7-6-8-19-11-14/h6-8,10-11,13,15H,9,12H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyUUDOHTBJNDCQKG-HNNXBMFYSA-N
XLogP2.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 138029000
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
S-(2-methylpropyl) N-ethyl-N-[methyl-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamoyl]carbamothioate
CID 90307198
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide (CID 136587890) is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide is CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(-c2cccnc2)nn1C.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide?
The InChIKey is UUDOHTBJNDCQKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)9-15(12-22(3)4)20-18(24)17-10-16(21-23(17)5)14-7-6-8-19-11-14/h6-8,10-11,13,15H,9,12H2,1-5H3,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide?
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 136587890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).