3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide

C18H28N6O — CID 124590446

IUPAC3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C2)cn1
InChIInChI=1S/C18H28N6O/c1-18(2,3)16-9-15(23(5)21-16)17(25)20-13-7-6-8-24(11-13)14-10-19-22(4)12-14/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,25)/t13-/m0/s1
InChIKeyQOVGXKLOKQFVEO-ZDUSSCGKSA-N
MW344.46 g/mol
LogP1.85
Rot. Bonds3

About 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide (PubChem CID 124590446) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
PubChem CID124590446
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C2)cn1
InChIInChI=1S/C18H28N6O/c1-18(2,3)16-9-15(23(5)21-16)17(25)20-13-7-6-8-24(11-13)14-10-19-22(4)12-14/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,25)/t13-/m0/s1
InChIKeyQOVGXKLOKQFVEO-ZDUSSCGKSA-N
XLogP1.85
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126767612
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide (CID 124590446) is 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide is Cn1cc(N2CCC[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C2)cn1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide?
The InChIKey is QOVGXKLOKQFVEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N6O/c1-18(2,3)16-9-15(23(5)21-16)17(25)20-13-7-6-8-24(11-13)14-10-19-22(4)12-14/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,25)/t13-/m0/s1.
What are the key properties of 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 124590446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).