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

C19H23F2N3O2 — CID 55738342

IUPAC1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)24-15(10-14(23-24)12-8-9-12)17(25)22-11-13-6-4-5-7-16(13)26-18(20)21/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,22,25)
InChIKeyHHZVWGLJNABDDP-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.05
Rot. Bonds6

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

1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 55738342) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID55738342
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)24-15(10-14(23-24)12-8-9-12)17(25)22-11-13-6-4-5-7-16(13)26-18(20)21/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,22,25)
InChIKeyHHZVWGLJNABDDP-UHFFFAOYSA-N
XLogP4.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55908630
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CID 46491652
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
CID 47041497
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
CID 87003187
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 168731230

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 55738342) is 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is HHZVWGLJNABDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-19(2,3)24-15(10-14(23-24)12-8-9-12)17(25)22-11-13-6-4-5-7-16(13)26-18(20)21/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,22,25).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 4.05, 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-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 55738342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).