3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide

C14H24N4O — CID 119389510

IUPAC3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1CCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-9-11(18(4)17-12)13(19)16-10-5-7-15-8-6-10/h9-10,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyYRQQCZQFBLMDBO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.20
Rot. Bonds2

About 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide (PubChem CID 119389510) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
PubChem CID119389510
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1CCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-9-11(18(4)17-12)13(19)16-10-5-7-15-8-6-10/h9-10,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyYRQQCZQFBLMDBO-UHFFFAOYSA-N
XLogP1.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
N-[(3S,7S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56855711
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
CID 119417802
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide (CID 119389510) is 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NC1CCNCC1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The InChIKey is YRQQCZQFBLMDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)12-9-11(18(4)17-12)13(19)16-10-5-7-15-8-6-10/h9-10,15H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 119389510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).