tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate

C18H21N3O4 — CID 59394708

IUPACtert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CC2)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-15(11-14(20-21)12-9-10-12)19-16(22)24-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,22)
InChIKeyOONJINIIXVHUCB-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate

tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate (PubChem CID 59394708) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
PubChem CID59394708
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nametert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CC2)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-15(11-14(20-21)12-9-10-12)19-16(22)24-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,22)
InChIKeyOONJINIIXVHUCB-UHFFFAOYSA-N
XLogP4.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
tert-butyl 5-[2-(4-bromophenyl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 139558779
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
CID 11356513
tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
CID 18423585
ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
CID 145083417
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
CID 18423587
tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 169245289
tert-butyl 5-cyclopropyl-3-[(2,2-diphenylacetyl)amino]pyrazole-1-carboxylate
CID 11418646
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 123305303

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate (CID 59394708) is tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(C2CC2)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate?
The InChIKey is OONJINIIXVHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)21-15(11-14(20-21)12-9-10-12)19-16(22)24-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate?
tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate is sourced from PubChem (CID 59394708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).