1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide

C17H30N4O — CID 94823248

IUPAC1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CN1CCCCC1
InChIInChI=1S/C17H30N4O/c1-14(12-20-8-6-5-7-9-20)10-18-16(22)15-11-19-21(13-15)17(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyZJWIYTVJNFPKLG-CQSZACIVSA-N
MW306.45 g/mol
LogP2.49
Rot. Bonds5

About 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide

1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide (PubChem CID 94823248) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide
PubChem CID94823248
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CN1CCCCC1
InChIInChI=1S/C17H30N4O/c1-14(12-20-8-6-5-7-9-20)10-18-16(22)15-11-19-21(13-15)17(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyZJWIYTVJNFPKLG-CQSZACIVSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide (CID 94823248) is 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide is C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CN1CCCCC1.
What is the InChIKey of 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide?
The InChIKey is ZJWIYTVJNFPKLG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(12-20-8-6-5-7-9-20)10-18-16(22)15-11-19-21(13-15)17(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide?
1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94823248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).