1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide

C22H32N4O — CID 47041497

IUPAC1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccccc1C
InChIInChI=1S/C22H32N4O/c1-6-25(19-10-8-7-9-16(19)2)14-13-23-21(27)20-15-18(17-11-12-17)24-26(20)22(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,23,27)
InChIKeyOXKVBVMCFHHDFX-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.08
Rot. Bonds7

About 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide (PubChem CID 47041497) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
PubChem CID47041497
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccccc1C
InChIInChI=1S/C22H32N4O/c1-6-25(19-10-8-7-9-16(19)2)14-13-23-21(27)20-15-18(17-11-12-17)24-26(20)22(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,23,27)
InChIKeyOXKVBVMCFHHDFX-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide (CID 47041497) is 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide is CCN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccccc1C.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide?
The InChIKey is OXKVBVMCFHHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-6-25(19-10-8-7-9-16(19)2)14-13-23-21(27)20-15-18(17-11-12-17)24-26(20)22(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,23,27).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 4.08, 7 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-(N-ethyl-2-methylanilino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 47041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).