1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide

C21H29N3O2 — CID 55908630

IUPAC1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C21H29N3O2/c1-14(2)26-19-9-7-6-8-16(19)13-22-20(25)18-12-17(15-10-11-15)23-24(18)21(3,4)5/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,22,25)
InChIKeyAHBBCSJSYKMOTR-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.23
Rot. Bonds6

About 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 55908630) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
PubChem CID55908630
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C21H29N3O2/c1-14(2)26-19-9-7-6-8-16(19)13-22-20(25)18-12-17(15-10-11-15)23-24(18)21(3,4)5/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,22,25)
InChIKeyAHBBCSJSYKMOTR-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 55738342
1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 46491652
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
1-tert-butyl-5-cyclopropyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 55848445
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
CID 47041497
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 122587993
1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 136519436
1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
CID 55758271
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide (CID 55908630) is 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide is CC(C)Oc1ccccc1CNC(=O)c1cc(C2CC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is AHBBCSJSYKMOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)26-19-9-7-6-8-16(19)13-22-20(25)18-12-17(15-10-11-15)23-24(18)21(3,4)5/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,22,25).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 55908630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).