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

C18H28N6O — CID 124590432

IUPAC1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cnn1C(C)(C)C
InChIInChI=1S/C18H28N6O/c1-13-16(10-20-24(13)18(2,3)4)17(25)21-14-7-6-8-23(11-14)15-9-19-22(5)12-15/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,25)/t14-/m1/s1
InChIKeyIOXBBYMTULGNBU-CQSZACIVSA-N
MW344.46 g/mol
LogP2.08
Rot. Bonds3

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

1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 124590432) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID124590432
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cnn1C(C)(C)C
InChIInChI=1S/C18H28N6O/c1-13-16(10-20-24(13)18(2,3)4)17(25)21-14-7-6-8-23(11-14)15-9-19-22(5)12-15/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,25)/t14-/m1/s1
InChIKeyIOXBBYMTULGNBU-CQSZACIVSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487736
1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120602508
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide (CID 124590432) is 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is IOXBBYMTULGNBU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13-16(10-20-24(13)18(2,3)4)17(25)21-14-7-6-8-23(11-14)15-9-19-22(5)12-15/h9-10,12,14H,6-8,11H2,1-5H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 124590432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).